data_2iem_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 2iem _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 ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.922 0 N-CA-C 110.998 -0.424 . . . . 99.989999999999995 110.998 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.66 146.33 93.51 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 111.037 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 134.66 18.05 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.52 1.8 . . . . 99.989999999999995 110.971 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.2 t -131.69 132.78 62.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 109.268 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 156.7 6.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.298 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 35' ' ' MET . 55.3 m -81.52 -45.2 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 110.393 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.67 138.95 35.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.303 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.553 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 22.7 t-80 -55.13 157.51 3.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.588 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.476 ' CB ' ' CD ' ' A' ' 188' ' ' GLN . . . -84.0 -27.36 28.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 109.281 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.593 HG13 ' CE2' ' A' ' 60' ' ' TRP . 54.9 t -95.55 -67.58 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.307 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -54.75 -38.99 67.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.329 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.9 15.28 81.78 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 110.967 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.85 171.0 8.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 99.989999999999995 109.574 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.25 140.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 110.014 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.458 ' O ' ' NH2' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -93.51 -51.55 4.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 99.989999999999995 110.961 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -85.1 -46.31 11.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 99.989999999999995 110.395 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.89 126.45 24.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 109.287 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.409 ' CG2' HD11 ' A' ' 44' ' ' ILE . 6.4 t -118.96 117.23 33.8 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.285 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 146.26 32.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 99.989999999999995 110.999 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.57 131.62 43.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.28 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.36 1.3 37.97 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 111.017 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.514 ' HE3' ' CD1' ' A' ' 66' ' ' TYR . 79.2 mmm -114.68 160.66 19.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 0.735 . . . . 99.989999999999995 111.033 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.6 157.46 46.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 110.281 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.409 HD11 ' CG2' ' A' ' 38' ' ' VAL . 2.3 mp -113.41 156.99 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -154.63 130.87 10.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 99.989999999999995 109.319 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 47' ' ' PHE . 7.7 mt -104.61 138.88 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.297 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.492 ' CE2' HG23 ' A' ' 138' ' ' ILE . 34.7 m-85 -153.65 144.17 22.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.984 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -125.06 127.64 47.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.29 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.42 179.76 5.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 99.989999999999995 111.023 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.75 -79.99 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 111.001 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.87 178.34 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.279 -1.008 . . . . 99.989999999999995 108.279 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER -136.38 -49.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 110.987 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.631 ' CZ3' ' CE1' ' A' ' 189' ' ' TYR . 25.0 m0 -72.78 -37.06 67.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 107.999 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.484 ' O ' ' CB ' ' A' ' 58' ' ' LEU . . . -79.19 -28.65 52.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.963 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.3 t -73.49 -50.8 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 99.989999999999995 109.318 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 11.3 pt-20 -55.69 -52.15 64.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 110.323 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -68.76 -23.84 64.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.328 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.484 ' CB ' ' O ' ' A' ' 54' ' ' GLY . 2.6 tp -66.39 -28.33 68.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 99.989999999999995 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.576 ' CE2' HD13 ' A' ' 98' ' ' ILE . 23.6 m-85 -78.45 -52.26 8.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 110.98 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.593 ' CE2' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -61.88 -55.92 24.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 99.989999999999995 108.0 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.518 ' N ' ' CG ' ' A' ' 60' ' ' TRP . 2.2 mt-30 -47.99 -23.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 110.306 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.5 tt -77.54 135.81 64.5 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.323 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 106.29 2.25 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.515 1.797 . . . . 99.989999999999995 110.974 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.435 ' HA2' ' CG1' ' A' ' 104' ' ' VAL . . . 142.02 -17.84 2.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.105 . . . . 99.989999999999995 111.001 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.42 HG11 ' CG2' ' A' ' 68' ' ' THR . 17.0 t -92.52 130.81 41.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 0.777 . . . . 99.989999999999995 109.319 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.514 ' CD1' ' HE3' ' A' ' 42' ' ' MET . 1.6 t80 -80.66 -56.86 3.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.971 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.9 m -150.41 163.59 37.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 110.008 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.435 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 36.1 p -148.8 167.0 26.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 99.989999999999995 110.399 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.11 153.44 32.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 109.303 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -106.8 140.2 40.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 109.283 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -167.94 -168.02 29.44 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 111.029 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -132.77 164.82 25.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 0.804 . . . . 99.989999999999995 111.006 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 74' ' ' GLY . 1.3 t -170.2 171.17 6.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 110.457 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.406 ' N ' ' OG1' ' A' ' 73' ' ' THR . . . 94.51 -20.17 49.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.145 . . . . 99.989999999999995 111.009 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.502 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -82.39 -177.56 51.96 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.024 -0.83 . . . . 99.989999999999995 111.024 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -114.56 -22.29 9.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 99.989999999999995 110.984 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.4 m -74.77 125.37 89.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 110.384 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 154.7 42.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.776 . . . . 99.989999999999995 110.962 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.404 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 20.7 m-80 45.43 64.82 7.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.327 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.5 Cg_endo -74.95 137.75 22.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.538 1.809 . . . . 99.989999999999995 111.036 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.504 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 2.3 m -111.68 155.04 24.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 110.39 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -63.35 -28.77 70.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 99.989999999999995 111.009 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.86 -52.0 28.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 110.291 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -73.8 -44.61 55.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 110.333 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 81' ' ' THR . 47.2 t -53.5 -37.94 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 109.361 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.2 t -59.89 -23.81 63.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.001 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.7 m -71.85 -39.59 69.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.99 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.417 ' HA2' ' NE2' ' A' ' 133' ' ' GLN . . . 92.22 8.89 62.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 110.989 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.29 12.07 14.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 99.989999999999995 109.33 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.4 p -111.27 -24.54 10.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.387 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.07 6.08 63.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 111.042 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.502 ' CG ' ' HA3' ' A' ' 75' ' ' GLY . 31.7 m-70 -73.17 158.25 35.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 99.989999999999995 109.575 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -127.81 162.08 27.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 99.989999999999995 109.289 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 15.3 pt-20 -71.59 135.08 46.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 110.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -161.37 150.04 15.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.324 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.4 m -138.56 155.35 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.336 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.458 ' NH2' ' O ' ' A' ' 35' ' ' MET . 50.1 ttp180 -97.49 139.41 33.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 110.29 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.576 HD13 ' CE2' ' A' ' 59' ' ' PHE . 4.6 mp -126.28 119.1 53.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 66' ' ' TYR . 59.0 t -113.03 99.48 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.534 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 39.3 p90 -124.52 177.09 6.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.985 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.24 137.86 20.71 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.286 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -3.04 13.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.534 1.807 . . . . 99.989999999999995 110.981 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t -92.92 -19.29 21.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.99 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.435 ' CG1' ' HA2' ' A' ' 64' ' ' GLY . 92.2 t -109.67 -46.83 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 109.274 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.425 HD11 ' CB ' ' A' ' 109' ' ' GLN . 1.8 tp -132.83 139.52 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.297 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.6 p -107.28 166.25 10.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.992 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -59.86 -33.1 71.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 111.022 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -67.93 -42.81 80.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.318 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.425 ' CB ' HD11 ' A' ' 105' ' ' ILE . 68.4 mt-30 -62.84 -43.55 98.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.534 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 27.0 mt -61.54 -40.89 96.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.288 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.2 mt -64.35 -42.81 96.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.304 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.62 -47.05 73.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 110.318 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.49 -46.55 86.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.285 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -51.98 -52.82 47.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.996 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 44.0 m95 -62.82 -23.72 67.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 107.997 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -32.76 59.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 110.316 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -101.65 4.26 40.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -78.47 163.49 25.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.567 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.64 159.57 28.89 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 109.29 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.26 41.59 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.482 1.78 . . . . 99.989999999999995 111.007 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 99.989999999999995 109.263 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.417 ' NE2' ' HA2' ' A' ' 88' ' ' GLY . 2.3 tp60 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.342 -0.244 . . . . 99.989999999999995 110.342 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -109.97 125.38 52.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.986 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -150.01 173.05 14.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 110.275 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 77.5 p -100.23 110.42 22.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 110.004 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -133.65 160.33 37.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.33 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.492 HG23 ' CE2' ' A' ' 47' ' ' PHE . 5.7 mt -120.87 126.78 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.303 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -121.91 82.12 42.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 111.008 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.415 ' CB ' ' HG3' ' A' ' 145' ' ' GLN . 18.3 Cg_endo -75.0 167.49 26.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.493 1.786 . . . . 99.989999999999995 111.005 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -115.7 -46.91 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 109.287 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 4.1 p -91.82 161.78 32.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 110.426 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -35.13 3.31 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.488 1.783 . . . . 99.989999999999995 110.985 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -55.42 -51.19 67.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 110.297 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.415 ' HG3' ' CB ' ' A' ' 140' ' ' PRO . 9.9 pt20 -70.57 -36.3 73.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 110.278 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.64 -48.07 75.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.308 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -72.74 -36.69 67.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 99.989999999999995 109.276 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.65 -48.88 78.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.283 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.36 -50.25 72.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 109.305 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -37.09 85.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 99.989999999999995 110.305 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.08 -43.51 78.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.298 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 18.4 p -70.93 -40.35 72.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.026 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.502 ' C ' ' CD2' ' A' ' 153' ' ' LEU . 2.7 tt -60.74 -52.49 64.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 99.989999999999995 109.307 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -61.91 -38.12 87.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.321 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -52.66 47.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 110.338 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -62.72 -40.06 96.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 111.026 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . 0.452 ' O ' ' CG ' ' A' ' 160' ' ' MET . 17.7 tt0 -62.93 -44.88 94.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 110.316 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.38 -32.12 68.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.319 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.11 -48.66 77.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 109.292 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.49 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 4.7 ptm -68.03 -32.69 73.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 111.008 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.49 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -65.85 -38.83 89.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.363 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.48 -19.06 65.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.272 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -90.4 -9.4 47.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.336 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.6 OUTLIER 81.74 34.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.34 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.46 118.11 35.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.312 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.05 11.61 13.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.273 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.22 71.17 3.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.333 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 36.4 p-80 -52.22 148.13 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.613 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.55 142.78 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.286 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 66.5 p -94.76 2.07 55.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 110.44 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.93 133.56 44.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 110.387 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -118.97 128.05 54.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 99.989999999999995 110.258 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 16.4 mt -109.33 121.09 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.221 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -147.05 165.35 30.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 109.266 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -42.84 163.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.327 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -87.1 87.27 7.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 109.307 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 4.0 p -59.53 162.7 8.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 110.386 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.16 5.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 99.989999999999995 110.992 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.558 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -79.0 141.19 37.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 110.98 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . 0.4 ' O ' ' O ' ' A' ' 181' ' ' TYR . 19.8 m-85 -119.99 108.98 14.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 110.96 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 179' ' ' PHE . 26.5 m-85 -36.89 155.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.973 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 183' ' ' GLU . . . -118.32 174.79 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . 0.571 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 0.4 OUTLIER -38.35 130.44 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 99.989999999999995 110.329 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.1 -23.11 2.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 99.989999999999995 109.29 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.45 -33.42 60.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.263 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . 0.571 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 63.1 m-70 -69.51 -46.04 67.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.6 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . 0.612 ' O ' ' HG2' ' A' ' 188' ' ' GLN . 36.7 mm-40 -44.94 122.75 3.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 110.295 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.612 ' HG2' ' O ' ' A' ' 187' ' ' GLN . 0.0 OUTLIER 36.18 60.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.421 1.076 . . . . 99.989999999999995 110.309 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.631 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 10.8 t80 -84.41 -25.59 28.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 111.029 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -46.2 67.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -29.08 65.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 109.563 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -66.38 -37.36 85.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.29 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.23 107.14 7.29 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 109.319 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.504 1.792 . . . . 99.989999999999995 111.021 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 111.0 -0.423 . . . . 99.989999999999995 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.33 148.77 88.66 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 99.989999999999995 111.057 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 132.05 14.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.779 . . . . 99.989999999999995 111.005 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.571 HG11 ' CD1' ' A' ' 181' ' ' TYR . 5.4 t -129.48 131.55 67.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.361 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.14 160.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.279 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 m -89.4 -42.99 11.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 110.397 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.4 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -106.77 139.87 40.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.292 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.591 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 17.1 t-80 -50.04 150.57 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 109.637 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.08 -30.08 39.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.299 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.62 ' CG1' ' CE2' ' A' ' 60' ' ' TRP . 70.4 t -91.68 -66.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 109.276 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -54.13 -39.88 66.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 99.989999999999995 109.323 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.28 16.3 76.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.396 1.06 . . . . 99.989999999999995 111.005 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.505 ' CG ' ' N ' ' A' ' 34' ' ' SER . 9.8 t60 -131.12 164.12 26.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 99.989999999999995 109.617 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.505 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 78.0 p -47.2 132.1 12.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 110.058 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.6 ptm -98.6 -23.15 15.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 111.054 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.4 p -78.25 -51.82 9.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 99.989999999999995 110.443 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -54.53 127.01 25.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.253 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.4 t -118.54 105.07 46.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.256 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 142.92 28.68 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.472 1.775 . . . . 99.989999999999995 111.012 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.99 130.07 15.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 109.362 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.21 -15.86 30.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 111.037 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.543 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 0.7 OUTLIER -104.26 141.1 36.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.596 0.821 . . . . 99.989999999999995 111.003 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.69 162.4 22.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 110.306 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.445 HG23 ' CG ' ' A' ' 97' ' ' ARG . 2.7 mp -113.56 150.28 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.342 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -150.8 131.78 14.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 99.989999999999995 109.276 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.517 HG23 ' CG ' ' A' ' 139' ' ' TYR . 31.0 mt -102.41 138.74 25.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.26 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.428 ' N ' HG21 ' A' ' 46' ' ' ILE . 11.1 m-85 -149.99 148.01 28.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 111.028 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -128.45 130.05 47.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 99.989999999999995 109.291 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.538 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -132.53 171.16 14.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 110.937 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.81 -54.24 11.97 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 110.996 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.63 179.57 6.5 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.292 -1.003 . . . . 99.989999999999995 108.292 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.2 p90 -141.11 -44.91 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 99.989999999999995 110.98 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.585 ' CZ3' ' CE1' ' A' ' 189' ' ' TYR . 16.5 m0 -70.74 -45.21 65.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 108.042 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 58' ' ' LEU . . . -77.52 -34.31 40.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 111.016 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 69.1 t -71.7 -39.77 69.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 99.989999999999995 109.272 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.406 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 1.8 tt0 -64.86 -55.08 21.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 110.288 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -65.53 -24.99 67.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 110.277 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.457 ' CB ' ' O ' ' A' ' 54' ' ' GLY . 0.5 OUTLIER -67.79 -38.22 83.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.256 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.524 ' CG ' HG12 ' A' ' 98' ' ' ILE . 10.5 m-85 -63.44 -50.18 70.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 99.989999999999995 111.045 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.62 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -67.8 -54.99 14.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 108.033 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.52 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 2.8 mm-40 -48.24 -22.67 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 110.266 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.426 ' CD1' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -72.61 140.6 81.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 99.989999999999995 109.248 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.426 ' HD2' ' CD1' ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.03 113.61 3.83 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.45 1.763 . . . . 99.989999999999995 111.009 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.92 -23.95 4.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 111.018 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.5 t -87.95 129.53 39.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 99.989999999999995 109.314 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.543 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 0.2 OUTLIER -81.78 -57.44 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 111.019 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.554 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 3.4 m -153.37 166.8 31.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.978 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 61.8 p -137.93 171.0 15.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 110.436 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.576 ' HB2' ' CE1' ' A' ' 181' ' ' TYR . . . -146.59 121.57 10.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.456 1.097 . . . . 99.989999999999995 109.362 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.404 ' HA ' ' CG1' ' A' ' 96' ' ' VAL . . . -82.94 138.09 33.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.269 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -164.41 -166.67 23.72 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 111.047 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 72' ' ' TYR . 0.2 OUTLIER -131.94 163.39 28.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 0.802 . . . . 99.989999999999995 111.019 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.417 ' OG1' ' CG2' ' A' ' 177' ' ' THR . 13.9 t -171.06 162.69 7.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 110.43 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.12 -18.85 55.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 110.969 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.515 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -85.91 -178.5 50.08 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.991 -0.843 . . . . 99.989999999999995 110.991 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -114.54 -24.49 8.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 99.989999999999995 110.96 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.94 124.98 89.83 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 110.421 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 155.02 42.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.767 . . . . 99.989999999999995 111.041 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.4 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 1.0 OUTLIER 41.46 65.21 4.75 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.317 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.46 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.03 156.31 42.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.543 1.812 . . . . 99.989999999999995 111.025 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.9 m -113.36 155.37 25.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 110.388 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -56.33 -48.86 75.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 111.025 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -66.86 -35.62 80.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 99.989999999999995 110.343 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -67.41 -42.75 82.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 110.371 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.5 t -62.98 -38.95 83.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 109.339 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.4 m -60.77 -22.46 64.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.942 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.99 -39.58 69.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.043 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.73 11.29 65.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 111.018 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -88.99 -4.52 58.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 0.743 . . . . 99.989999999999995 109.279 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 p -102.78 -21.8 14.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 110.398 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.53 10.94 51.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 111.041 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.515 ' CG ' ' HA3' ' A' ' 75' ' ' GLY . 31.3 m-70 -72.81 152.21 41.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 99.989999999999995 109.583 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -119.19 170.25 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.252 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -82.39 126.1 31.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 110.278 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -152.56 149.96 29.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 109.318 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.404 ' CG1' ' HA ' ' A' ' 70' ' ' ALA . 32.3 m -140.32 163.08 23.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 179' ' ' PHE . 47.4 ttp180 -101.26 142.94 31.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.176 . . . . 99.989999999999995 110.243 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.524 HG12 ' CG ' ' A' ' 59' ' ' PHE . 4.8 mp -126.58 116.57 45.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.3 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 35.8 t -109.13 99.82 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.259 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.451 ' CD1' HG23 ' A' ' 105' ' ' ILE . 30.4 p90 -129.95 176.78 7.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.593 1.183 . . . . 99.989999999999995 110.987 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.36 132.85 21.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.345 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 1.55 7.58 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.407 1.74 . . . . 99.989999999999995 110.975 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.85 -28.98 16.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.97 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.6 t -97.44 -50.4 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 109.278 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.451 HG23 ' CD1' ' A' ' 100' ' ' TYR . 16.6 tt -115.37 161.31 14.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 109.292 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.4 p -124.74 147.43 48.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 110.065 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 26.0 p90 -49.76 -35.63 23.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.996 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.594 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 4.4 tp10 -61.7 -43.34 99.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 110.308 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -62.9 -47.74 81.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 110.29 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.407 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 41.3 mt -56.2 -47.62 78.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.386 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.0 mt -60.43 -43.01 97.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 99.989999999999995 109.273 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -58.52 -53.8 54.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 99.989999999999995 110.266 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 3.8 t -59.05 -51.58 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 109.298 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.538 ' CE2' ' HG3' ' A' ' 49' ' ' MET . 5.9 t80 -55.17 -48.7 73.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 110.959 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.449 ' CE3' ' CE2' ' A' ' 156' ' ' PHE . 21.4 m95 -63.61 -20.82 65.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 108.043 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -83.82 -36.77 23.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 99.989999999999995 110.33 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -90.55 -0.44 57.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 99.989999999999995 109.291 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.54 169.26 15.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.655 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -112.22 155.1 44.05 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 109.296 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 160.03 40.74 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.583 1.833 . . . . 99.989999999999995 110.999 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 99.989999999999995 109.306 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.335 -0.246 . . . . 99.989999999999995 110.335 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -113.35 138.63 49.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 111.045 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -141.07 123.64 15.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.308 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 31.3 p -69.74 87.98 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 99.989999999999995 109.975 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -121.44 151.58 40.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 109.363 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 79.9 mt -115.87 131.67 67.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 99.989999999999995 109.319 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.517 ' CG ' HG23 ' A' ' 46' ' ' ILE . 76.9 m-85 -124.21 83.19 56.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 111.009 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 169.98 21.42 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.784 . . . . 99.989999999999995 111.031 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.476 HD22 ' CB ' ' A' ' 176' ' ' ALA . 4.2 mm? -115.66 -48.23 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 109.257 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.403 HG22 ' NE2' ' A' ' 145' ' ' GLN . 2.0 p -93.36 164.2 22.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 110.347 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -34.55 3.71 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 99.989999999999995 111.034 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.14 -52.25 63.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 110.303 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.403 ' NE2' HG22 ' A' ' 142' ' ' THR . 6.4 pt20 -71.93 -34.65 69.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 110.25 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.53 -54.25 46.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 109.292 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.77 -46.5 84.96 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.265 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -55.89 -41.19 74.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.299 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.92 -53.0 63.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 99.989999999999995 109.328 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -66.89 -39.87 87.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 99.989999999999995 110.287 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.8 -35.12 65.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 99.989999999999995 109.293 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 156' ' ' PHE . 56.1 p -78.22 -42.9 29.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 99.989999999999995 109.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.427 ' C ' ' CD2' ' A' ' 153' ' ' LEU . 4.5 tt -58.71 -53.18 61.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.27 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -57.06 -30.0 63.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.087 . . . . 99.989999999999995 110.317 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.79 -31.75 28.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 99.989999999999995 110.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.449 ' CE2' ' CE3' ' A' ' 115' ' ' TRP . 1.4 t80 -69.14 -54.51 14.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 111.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' A' ' 160' ' ' MET . 1.0 OUTLIER -60.24 -31.81 70.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.314 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.421 ' N ' ' HG3' ' A' ' 157' ' ' GLN . . . -71.88 -36.42 70.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 109.358 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -57.95 -49.33 77.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 99.989999999999995 109.281 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 6.9 ptm -68.28 -33.02 73.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 110.996 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.478 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.0 OUTLIER -63.04 -42.55 99.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 109.301 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.07 -22.79 67.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.272 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -83.71 -10.98 57.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.1 t70 82.21 31.95 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.409 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.35 124.38 48.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.238 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -92.31 18.95 7.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.323 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -84.33 74.43 10.34 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 110.297 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -69.42 123.35 21.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.652 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -73.67 139.83 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 99.989999999999995 109.289 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 65.7 m -88.36 56.61 3.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 110.389 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 20.5 m -93.62 124.97 37.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 110.387 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.07 127.27 50.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.336 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 7.0 mt -105.89 122.51 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 99.989999999999995 109.342 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -143.62 167.89 21.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.273 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -48.92 165.72 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.36 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . 0.476 ' CB ' HD22 ' A' ' 141' ' ' LEU . . . -86.42 83.99 7.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 109.3 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' THR . . . . . 0.417 ' CG2' ' OG1' ' A' ' 73' ' ' THR . 0.5 OUTLIER -62.57 162.48 20.16 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 110.355 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 109.5 2.94 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.569 1.826 . . . . 99.989999999999995 110.97 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 10.3 p90 -87.65 144.63 26.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 99.989999999999995 110.995 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -99.28 122.95 43.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 110.953 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . 0.576 ' CE1' ' HB2' ' A' ' 69' ' ' ALA . 7.1 m-85 -44.75 170.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 111.028 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.419 ' O ' ' NE2' ' A' ' 187' ' ' GLN . . . -127.66 171.28 11.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.071 . . . . 99.989999999999995 109.299 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -48.11 137.07 10.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 1.081 . . . . 99.989999999999995 110.313 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -56.65 -27.06 57.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.213 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.55 -44.35 94.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.313 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -69.28 -37.99 78.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.564 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 182' ' ' ALA . 0.0 OUTLIER -53.15 114.36 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 99.989999999999995 110.302 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.591 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 7.6 mp0 51.93 54.03 11.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 110.286 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.585 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 10.1 t80 -85.14 -25.81 27.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 110.973 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.0 -46.38 68.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 109.273 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -29.53 66.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.571 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.12 -29.28 67.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.3 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.8 OUTLIER -135.06 99.22 12.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 99.989999999999995 109.32 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.494 1.786 . . . . 99.989999999999995 110.977 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 111.017 -0.417 . . . . 99.989999999999995 111.017 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.57 154.17 93.33 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.423 1.077 . . . . 99.989999999999995 110.966 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 125.11 9.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 99.989999999999995 110.988 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 181' ' ' TYR . 11.1 t -123.13 138.97 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 109.274 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.05 159.56 3.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.272 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 m -80.1 -29.84 39.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.424 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.477 ' CB ' ' C ' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -142.89 143.13 31.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 109.365 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.552 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 14.9 t-80 -39.42 150.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 99.989999999999995 109.624 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.475 ' CB ' ' HG3' ' A' ' 188' ' ' GLN . . . -80.44 -33.45 36.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 109.299 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.58 HG13 ' CE2' ' A' ' 60' ' ' TRP . 53.8 t -84.52 -69.52 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 109.297 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -52.3 -39.84 61.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.306 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.38 19.54 76.38 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.424 1.077 . . . . 99.989999999999995 110.923 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.477 ' C ' ' CB ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -121.46 162.12 21.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 99.989999999999995 109.639 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.458 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 1.2 t -41.42 145.96 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.954 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.47 -33.61 10.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 110.964 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 t -87.84 -35.2 17.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 110.34 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.458 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 1.2 t-20 -63.82 138.25 58.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.318 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.2 t -130.72 117.69 17.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.343 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 149.12 36.36 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.539 1.81 . . . . 99.989999999999995 110.965 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.77 134.87 56.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 109.313 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.32 4.39 66.37 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.983 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.565 ' HE1' ' CD1' ' A' ' 66' ' ' TYR . 3.3 ttm -107.93 152.43 24.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 0.825 . . . . 99.989999999999995 111.001 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -140.23 161.28 38.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.173 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mt -113.63 154.81 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.287 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -144.58 130.6 19.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.263 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.7 mt -101.22 127.23 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.295 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -141.94 147.66 37.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 110.959 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -134.7 126.37 28.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 99.989999999999995 109.294 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.445 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 0.2 OUTLIER -135.05 175.56 9.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 110.981 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -42.39 -77.39 0.08 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 111.019 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.39 -179.73 2.6 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.292 -1.003 . . . . 99.989999999999995 108.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.542 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -141.78 -48.99 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 111.051 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.793 ' CZ3' ' CE1' ' A' ' 189' ' ' TYR . 26.5 m0 -67.14 -42.38 84.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 107.993 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.19 -34.66 36.42 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.591 1.182 . . . . 99.989999999999995 111.005 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.566 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 78.7 t -73.37 -50.14 32.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.554 0.797 . . . . 99.989999999999995 109.248 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 188' ' ' GLN . 1.5 tt0 -51.19 -55.41 18.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 110.214 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.03 -26.57 68.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 99.989999999999995 110.344 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.443 ' CD2' ' CG ' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -65.61 -23.51 66.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 109.334 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.566 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 22.3 m-85 -81.35 -49.75 10.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 111.017 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.58 ' CE2' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -69.17 -53.91 17.6 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.951 -1.129 . . . . 99.989999999999995 107.951 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.503 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 4.6 mm-40 -48.9 -22.5 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.316 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.422 ' HB3' ' O ' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -76.73 141.4 68.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.268 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 115.15 4.2 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.797 . . . . 99.989999999999995 110.988 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.442 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 128.44 -18.95 5.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 110.983 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.456 ' CG1' ' HA ' ' A' ' 60' ' ' TRP . 25.6 t -89.07 121.48 39.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 0.775 . . . . 99.989999999999995 109.31 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.565 ' CD1' ' HE1' ' A' ' 42' ' ' MET . 3.0 t80 -75.51 -47.8 25.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 110.961 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.1 m -162.63 164.03 26.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.961 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.438 ' O ' ' NE2' ' A' ' 28' ' ' HIS . 35.1 p -146.7 140.62 26.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 110.425 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . . . -120.0 141.66 49.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.309 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.43 ' HA ' ' CG1' ' A' ' 96' ' ' VAL . . . -103.2 140.48 37.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 99.989999999999995 109.294 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -168.79 -154.49 8.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 110.961 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -136.61 168.59 19.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 99.989999999999995 111.046 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 t -175.33 174.74 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.381 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.34 -19.52 39.16 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.435 1.084 . . . . 99.989999999999995 110.969 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.517 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -86.38 -176.98 49.71 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.035 -0.826 . . . . 99.989999999999995 111.035 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -113.91 -21.49 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 99.989999999999995 110.972 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.429 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 9.0 m -74.95 117.43 62.62 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 110.396 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.17 31.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.471 1.774 . . . . 99.989999999999995 110.972 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.429 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 89.4 m-20 48.56 64.04 9.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.275 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -75.0 160.73 39.81 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.467 1.772 . . . . 99.989999999999995 110.982 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 83.2 m -118.04 153.64 33.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.377 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -52.83 -40.37 63.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 110.971 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.9 mtm-85 -69.27 -45.03 70.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 110.288 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.68 -44.31 82.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 110.241 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.422 ' CG2' ' HB2' ' A' ' 80' ' ' PRO . 55.6 t -61.01 -40.93 87.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.317 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.7 t -61.53 -30.65 70.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 110.042 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.3 m -67.37 -39.2 85.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 110.062 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.52 8.33 61.1 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.431 1.082 . . . . 99.989999999999995 110.95 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -88.09 5.7 39.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 0.766 . . . . 99.989999999999995 109.265 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 p -106.17 -16.8 14.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.4 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.09 19.99 40.6 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 110.996 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.517 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 42.2 m-70 -91.4 156.56 17.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 0.734 . . . . 99.989999999999995 109.638 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -122.18 167.96 12.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.406 1.066 . . . . 99.989999999999995 109.288 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -81.15 110.11 16.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.226 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.86 152.71 50.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.324 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.43 ' CG1' ' HA ' ' A' ' 70' ' ' ALA . 19.7 m -141.14 158.0 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.225 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.501 ' HG3' ' CG ' ' A' ' 179' ' ' PHE . 17.8 mtm180 -99.73 141.67 32.22 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 110.287 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.518 HG12 ' CG ' ' A' ' 59' ' ' PHE . 5.1 mp -126.94 116.0 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 99.989999999999995 109.246 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.497 ' CG1' ' HG2' ' A' ' 42' ' ' MET . 20.8 t -105.72 107.13 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 99.989999999999995 109.331 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.418 ' CD2' HD11 ' A' ' 110' ' ' LEU . 41.9 p90 -126.91 -179.88 5.05 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 111.027 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.47 133.41 24.02 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.287 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 0.41 8.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.569 1.826 . . . . 99.989999999999995 111.014 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.8 t -94.59 -24.07 17.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.02 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.3 t -104.8 -48.56 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.315 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.471 ' CD1' ' HG ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -132.07 136.11 57.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.299 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 p -91.36 161.7 14.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 109.975 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.632 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 28.8 p90 -60.8 -38.45 85.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 111.014 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.632 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.3 OUTLIER -58.43 -39.99 81.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.294 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -59.82 -34.79 73.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 110.256 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.471 ' HG ' ' CD1' ' A' ' 105' ' ' ILE . 63.2 mt -65.64 -46.51 78.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 99.989999999999995 109.326 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.575 ' HB3' ' CZ2' ' A' ' 115' ' ' TRP . 2.1 mt -67.19 -34.54 77.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 109.293 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -56.78 -50.51 72.1 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 110.282 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 117' ' ' ASN . 0.3 OUTLIER -74.24 -33.52 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.288 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.424 ' O ' ' N ' ' A' ' 118' ' ' HIS . 17.5 t80 -54.43 -53.18 57.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.955 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.575 ' CZ2' ' HB3' ' A' ' 111' ' ' LEU . 1.4 m0 -59.69 -25.82 65.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.128 . . . . 99.989999999999995 108.015 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.91 -30.01 28.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.321 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.445 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 13.7 t-20 -97.11 4.13 51.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 109.362 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.447 ' NE2' ' CB ' ' A' ' 136' ' ' SER . 6.3 t-160 -83.33 174.89 10.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.573 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -117.37 160.13 38.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.378 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 159.57 40.93 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 99.989999999999995 110.964 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.273 -179.939 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.299 -0.26 . . . . 99.989999999999995 110.299 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 38.0 p90 -100.38 125.33 46.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 111.014 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.9 171.02 14.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 110.324 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.447 ' CB ' ' NE2' ' A' ' 118' ' ' HIS . 50.5 m -97.6 108.48 21.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 110.007 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -144.54 149.35 35.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.314 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 59.4 mt -112.46 131.27 64.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 99.989999999999995 109.283 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -129.42 76.19 79.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.988 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 166.75 28.54 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.518 1.799 . . . . 99.989999999999995 110.991 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 176' ' ' ALA . 0.2 OUTLIER -110.21 -43.37 3.95 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.285 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.4 p -83.16 158.71 63.76 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 110.331 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -37.28 2.08 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.473 1.775 . . . . 99.989999999999995 110.992 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -63.32 -33.6 75.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.342 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -70.02 -42.21 73.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 99.989999999999995 110.323 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -52.68 60.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -52.93 -51.08 62.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 99.989999999999995 109.301 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.49 96.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 99.989999999999995 109.291 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.96 -58.39 8.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.315 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 151' ' ' ALA . 25.7 ptt180 -63.6 -30.32 71.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.343 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.402 ' N ' ' HG3' ' A' ' 150' ' ' ARG . . . -60.07 -38.82 83.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.352 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.551 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 8.4 p -72.08 -32.99 67.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 110.008 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.26 -52.77 62.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.293 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -60.09 -45.77 91.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 99.989999999999995 110.31 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -50.89 69.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.353 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -64.27 -44.81 90.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.923 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.37 -41.95 88.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 99.989999999999995 110.25 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -60.18 -46.62 89.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.333 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.91 -42.24 90.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 109.274 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 6.1 tmm? -60.56 -48.22 82.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 110.96 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -27.6 69.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.327 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.73 -16.77 52.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.343 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -74.66 -7.85 54.53 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.275 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.0 t70 76.18 21.16 1.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 109.367 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -107.0 149.92 27.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 109.298 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.05 15.99 20.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.29 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -84.23 68.31 10.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 1.073 . . . . 99.989999999999995 110.288 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -70.64 141.79 51.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 99.989999999999995 109.609 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.97 135.41 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 109.305 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 32.9 m -92.88 33.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 110.404 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.33 131.63 34.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 110.383 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -121.39 139.31 53.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.278 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 20.1 mt -115.6 128.3 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.297 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.13 167.85 21.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 99.989999999999995 109.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -44.38 166.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.257 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . 0.469 ' HB2' ' CD2' ' A' ' 141' ' ' LEU . . . -86.6 89.51 7.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.314 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 31.0 p -59.22 163.25 6.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 110.395 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 113.46 3.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.77 . . . . 99.989999999999995 111.02 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.578 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.1 OUTLIER -76.72 142.84 40.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.607 1.192 . . . . 99.989999999999995 110.992 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 181' ' ' TYR . 5.1 m-85 -120.45 107.77 13.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.992 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . 0.542 ' HA ' ' CZ ' ' A' ' 179' ' ' PHE . 63.4 m-85 -36.45 150.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 111.045 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -113.96 174.07 6.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 99.989999999999995 109.283 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . 0.4 ' HB2' ' CD2' ' A' ' 186' ' ' HIS . 11.8 mt-10 -44.45 130.49 6.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 99.989999999999995 110.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -51.83 -24.12 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 109.324 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.21 -38.86 82.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.31 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . 0.4 ' CD2' ' HB2' ' A' ' 183' ' ' GLU . 53.0 m-70 -74.3 -46.0 43.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 109.627 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . 0.621 ' O ' ' HG2' ' A' ' 188' ' ' GLN . 8.2 mt-30 -48.89 129.93 17.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 110.303 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.621 ' HG2' ' O ' ' A' ' 187' ' ' GLN . 0.3 OUTLIER 34.58 56.98 0.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 110.264 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.793 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 6.2 t80 -85.03 -27.55 26.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 111.031 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.25 -46.33 67.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.289 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.512 ' CG ' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -57.24 -28.9 63.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.573 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.7 -33.07 72.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.291 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.5 OUTLIER -133.78 100.45 13.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.24 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.533 1.807 . . . . 99.989999999999995 110.977 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.477 ' N ' HD21 ' A' ' 79' ' ' ASN . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.907 0 N-CA-C 111.037 -0.409 . . . . 99.989999999999995 111.037 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -83.0 144.1 46.99 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 111.01 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 139.22 24.14 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.522 1.801 . . . . 99.989999999999995 111.056 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.501 HG13 ' CD2' ' A' ' 181' ' ' TYR . 43.0 t -130.64 130.88 64.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.303 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.26 165.42 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 109.233 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.416 ' CB ' HD13 ' A' ' 27' ' ' LEU . 35.3 m -88.5 -42.7 11.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 110.442 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.485 ' N ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -112.79 159.15 19.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.304 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.563 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 18.6 t-80 -69.11 158.56 34.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.638 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.34 -27.8 27.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.239 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.561 HG23 ' CD2' ' A' ' 191' ' ' HIS . 58.4 t -94.83 -66.4 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.297 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 4.0 t-20 -55.76 -40.08 72.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.271 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.9 15.41 79.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.998 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 34' ' ' SER . 5.5 t60 -128.13 169.18 14.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 99.989999999999995 109.655 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.588 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 0.5 OUTLIER -53.9 131.67 40.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.008 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -99.34 -17.1 18.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 110.986 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.434 ' CG2' ' N ' ' A' ' 37' ' ' ASN . 15.0 t -88.09 -50.63 6.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 110.405 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.434 ' N ' ' CG2' ' A' ' 36' ' ' THR . 19.4 t-20 -54.64 140.97 33.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 99.989999999999995 109.313 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.5 t -126.35 109.69 23.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 99.989999999999995 109.224 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.14 148.06 34.25 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.465 1.771 . . . . 99.989999999999995 110.983 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -57.55 133.54 55.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.32 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.405 ' O ' ' OD1' ' A' ' 101' ' ' ASP . . . 99.47 -4.52 58.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.412 1.07 . . . . 99.989999999999995 111.049 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.528 ' HE1' ' CD1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -102.49 164.33 11.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 0.743 . . . . 99.989999999999995 111.02 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -140.91 159.11 42.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 110.316 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -115.53 148.41 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 109.257 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.452 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . . . -140.7 134.23 30.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.39 1.056 . . . . 99.989999999999995 109.259 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.727 ' CG2' ' CE2' ' A' ' 179' ' ' PHE . 91.2 mt -114.43 134.24 58.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.279 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.541 ' CD2' ' CZ ' ' A' ' 59' ' ' PHE . 62.3 m-85 -145.08 165.18 28.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 99.989999999999995 111.023 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -148.32 125.88 11.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.279 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.443 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 0.8 OUTLIER -133.26 165.56 24.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.952 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -38.82 -70.75 0.28 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 111.015 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.7 179.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.264 -1.013 . . . . 99.989999999999995 108.264 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -136.85 -53.49 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 99.989999999999995 111.047 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 25.3 m0 -82.14 -36.23 27.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 107.981 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -69.1 -41.14 82.04 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.57 1.169 . . . . 99.989999999999995 110.972 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.8 t -69.66 -61.82 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.453 0.737 . . . . 99.989999999999995 109.286 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.498 ' HG3' ' CZ3' ' A' ' 60' ' ' TRP . 8.1 pt-20 -49.63 -40.25 38.76 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 110.326 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.523 ' HA ' ' CD2' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -65.08 -33.7 76.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 110.295 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.76 -20.73 56.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.39 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.541 ' CZ ' ' CD2' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -76.49 -51.44 11.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 110.968 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.523 ' CD2' ' HA ' ' A' ' 57' ' ' ARG . 0.8 OUTLIER -72.16 -11.79 60.89 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.942 -1.132 . . . . 99.989999999999995 107.942 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.46 -7.44 57.65 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 110.313 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.468 ' CD2' ' HD2' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -81.56 137.37 48.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.468 ' HD2' ' CD2' ' A' ' 62' ' ' LEU . 18.4 Cg_endo -74.93 108.2 2.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 99.989999999999995 110.974 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.56 -9.1 5.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 111.055 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.2 t -86.73 121.93 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.572 0.807 . . . . 99.989999999999995 109.293 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.528 ' CD1' ' HE1' ' A' ' 42' ' ' MET . 0.7 OUTLIER -75.82 -54.7 6.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.949 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 m -157.72 161.24 38.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.006 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 64.1 p -140.45 149.41 42.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 99.989999999999995 110.463 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.497 ' HB3' ' CE2' ' A' ' 181' ' ' TYR . . . -137.47 123.51 20.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.301 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.59 140.02 33.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.302 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -160.01 -174.84 30.29 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.978 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -118.52 154.66 32.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.753 . . . . 99.989999999999995 111.04 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.635 ' CB ' ' CE1' ' A' ' 179' ' ' PHE . 11.5 t -151.2 166.88 29.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 110.463 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.21 -43.42 2.93 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 110.933 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.498 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -56.19 161.67 6.62 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.063 -0.815 . . . . 99.989999999999995 111.063 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -103.87 -20.63 13.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.773 . . . . 99.989999999999995 111.006 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 3.5 m -84.08 128.4 62.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 110.377 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.3 Cg_endo -75.04 166.29 29.46 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.561 1.821 . . . . 99.989999999999995 111.017 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.477 HD21 ' N ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER 40.28 66.2 3.46 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 109.294 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.56 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 18.5 Cg_endo -74.95 146.23 32.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.557 1.82 . . . . 99.989999999999995 111.034 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.49 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 90.0 m -114.04 162.62 16.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 99.989999999999995 110.39 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -62.57 -39.56 94.07 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 111.009 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -41.04 68.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 99.989999999999995 110.31 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -66.82 -44.3 81.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.257 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 81' ' ' THR . 57.3 t -66.83 -41.29 87.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.258 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.1 t -59.67 -27.81 66.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.085 . . . . 99.989999999999995 109.952 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.3 t -71.59 -39.06 70.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 110.024 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.38 14.75 63.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 111.049 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -86.12 -2.68 58.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.391 0.701 . . . . 99.989999999999995 109.31 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.5 p -108.91 -24.53 11.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 110.404 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.65 6.81 78.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 111.038 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.56 ' CD2' ' HB3' ' A' ' 80' ' ' PRO . 23.0 m-70 -60.29 149.06 34.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 0.747 . . . . 99.989999999999995 109.633 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -120.56 152.57 37.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 109.363 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 49' ' ' MET . 13.5 pt-20 -69.96 136.71 50.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 110.258 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.407 ' HB2' ' CE2' ' A' ' 179' ' ' PHE . . . -157.91 163.99 37.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 99.989999999999995 109.332 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 19.1 m -149.87 139.62 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.152 . . . . 99.989999999999995 109.314 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -93.05 144.34 25.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 110.218 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.525 HG12 ' CD1' ' A' ' 59' ' ' PHE . 5.4 mp -134.48 120.59 33.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 109.331 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.419 ' CG1' ' HG2' ' A' ' 42' ' ' MET . 91.2 t -109.62 103.82 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.309 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.702 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 30.0 p90 -124.22 179.49 4.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 111.034 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 41' ' ' GLY . 0.1 OUTLIER -110.64 138.0 20.9 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.292 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 1.16 8.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.507 1.793 . . . . 99.989999999999995 111.0 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.34 -25.99 16.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 110.002 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.1 t -101.97 -50.24 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 99.989999999999995 109.315 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.417 ' CG2' ' CD1' ' A' ' 100' ' ' TYR . 3.7 tp -123.14 143.72 35.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 109.301 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.1 p -112.63 162.84 15.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.986 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.461 ' CG ' ' N ' ' A' ' 108' ' ' GLU . 29.3 p90 -57.11 -37.38 71.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 111.001 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.461 ' N ' ' CG ' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -62.88 -42.07 99.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 99.989999999999995 110.221 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -64.81 -44.68 89.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 110.261 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.702 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 16.8 mt -68.11 -41.22 82.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.25 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.569 ' HB3' ' CZ2' ' A' ' 115' ' ' TRP . 1.5 mm? -63.42 -36.65 84.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 109.323 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -65.54 -43.11 90.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.381 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.447 HG23 ' CD1' ' A' ' 62' ' ' LEU . 75.4 t -59.13 -38.7 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 118' ' ' HIS . 3.2 t80 -62.09 -47.41 84.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 110.976 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.569 ' CZ2' ' HB3' ' A' ' 111' ' ' LEU . 3.9 m0 -66.05 -17.24 64.56 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.984 -1.117 . . . . 99.989999999999995 107.984 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -86.29 -38.26 17.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 110.273 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.443 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 0.4 OUTLIER -96.75 5.33 50.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.258 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 114' ' ' PHE . 0.5 OUTLIER -61.52 145.43 51.93 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.627 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -104.13 162.64 19.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.241 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 152.67 41.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 99.989999999999995 111.003 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 109.3 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.276 -0.268 . . . . 99.989999999999995 110.276 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -96.28 91.74 6.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.947 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -129.88 172.79 11.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.599 1.187 . . . . 99.989999999999995 110.288 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 30.4 p -106.78 132.62 52.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 110.028 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -152.86 152.96 32.14 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 109.331 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 4.6 mt -111.63 133.17 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 99.989999999999995 109.333 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.514 ' CZ ' HG22 ' A' ' 73' ' ' THR . 89.2 m-85 -130.14 75.72 78.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 111.026 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 156.41 42.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 99.989999999999995 110.944 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 24.4 tp -110.33 -34.64 6.29 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.384 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.401 ' OG1' ' CD ' ' A' ' 145' ' ' GLN . 21.8 p -91.86 162.68 30.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 99.989999999999995 110.384 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -34.62 3.63 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.532 1.807 . . . . 99.989999999999995 110.964 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.91 -38.77 92.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 110.319 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.401 ' CD ' ' OG1' ' A' ' 142' ' ' THR . 47.1 mt-30 -67.0 -45.08 78.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 110.25 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.74 -46.65 89.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.172 . . . . 99.989999999999995 109.34 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.493 ' O ' ' CB ' ' A' ' 151' ' ' ALA . . . -53.06 -50.19 64.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 99.989999999999995 109.296 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -68.72 -44.22 74.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 99.989999999999995 109.306 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.85 -59.23 5.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.273 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.28 -38.02 87.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 110.342 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 147' ' ' ALA . . . -62.65 -47.49 83.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 109.338 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.498 ' HB2' ' CE2' ' A' ' 115' ' ' TRP . 1.9 p -63.99 -47.48 80.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.03 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.43 ' C ' ' CD2' ' A' ' 153' ' ' LEU . 4.2 tt -52.92 -50.86 63.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 99.989999999999995 109.287 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.53 -43.07 95.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 110.324 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 159' ' ' ALA . 0.0 OUTLIER -58.63 -51.94 67.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.305 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -63.64 -41.48 98.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 111.01 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -61.93 -51.68 67.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 110.313 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.18 -48.18 62.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.316 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 155' ' ' ARG . . . -51.75 -49.84 61.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 109.386 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 33.1 ttp -61.98 -48.2 81.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.963 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -24.9 63.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 99.989999999999995 109.298 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -71.22 -21.42 62.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.321 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -85.4 7.2 23.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 99.989999999999995 109.325 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.17 35.41 10.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.309 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -111.02 132.19 54.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.28 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.65 63.53 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.097 . . . . 99.989999999999995 109.267 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.3 77.63 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 99.989999999999995 110.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -54.6 139.47 38.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 99.989999999999995 109.614 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.5 mt -82.58 149.3 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.29 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 88.2 m -94.65 35.87 1.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.448 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.6 m -96.78 123.12 40.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 99.989999999999995 110.42 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.99 124.46 42.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 110.3 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 9.8 mt -97.39 120.92 47.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 109.277 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -137.8 169.23 18.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.284 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -53.2 155.1 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.283 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -87.59 82.97 7.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.322 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' THR . . . . . 0.415 ' HB ' ' HD2' ' A' ' 178' ' ' PRO . 69.0 p -76.85 163.71 63.83 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 110.402 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . 0.415 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.3 Cg_endo -74.96 103.06 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.44 1.758 . . . . 99.989999999999995 110.991 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.727 ' CE2' ' CG2' ' A' ' 46' ' ' ILE . 7.3 m-30 -76.49 145.84 38.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.596 1.185 . . . . 99.989999999999995 110.935 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 181' ' ' TYR . 19.2 m-85 -89.63 114.68 26.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.987 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . 0.501 ' CD2' HG13 ' A' ' 24' ' ' VAL . 30.9 m-85 -37.22 155.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 99.989999999999995 111.001 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -104.82 174.22 5.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.296 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.12 142.04 7.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 110.262 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -53.18 -28.46 26.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 109.281 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -45.12 93.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.29 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -62.71 -46.03 90.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 109.617 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -51.83 98.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 99.989999999999995 110.328 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.563 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 5.7 mp0 62.78 60.8 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 110.253 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.452 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 15.2 t80 -84.19 -25.4 29.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 111.022 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.78 -44.13 67.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.561 ' CD2' HG23 ' A' ' 30' ' ' VAL . 0.2 OUTLIER -58.34 -38.29 76.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.608 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -36.95 77.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 99.989999999999995 109.264 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.9 OUTLIER -139.02 106.41 7.37 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.273 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 99.989999999999995 111.005 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.928 0 N-CA-C 111.057 -0.401 . . . . 99.989999999999995 111.057 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 47.7 tpp -70.3 132.38 87.94 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 111.0 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 128.92 11.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 99.989999999999995 111.028 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 181' ' ' TYR . 25.1 t -136.47 144.1 33.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 99.989999999999995 109.312 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.02 152.67 38.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 99.989999999999995 109.326 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.474 ' CG2' HD11 ' A' ' 27' ' ' LEU . 1.8 m -78.09 -40.89 36.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 110.412 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.474 HD11 ' CG2' ' A' ' 26' ' ' THR . 0.1 OUTLIER -107.88 139.29 42.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 99.989999999999995 109.265 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.527 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 18.0 t-80 -52.65 154.51 2.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.642 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.456 ' CB ' ' OE1' ' A' ' 188' ' ' GLN . . . -82.26 -27.76 32.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.332 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.61 ' CG1' ' CE2' ' A' ' 60' ' ' TRP . 77.0 t -95.16 -66.54 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.29 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -54.82 -36.81 65.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.253 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.1 19.71 79.76 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.546 1.153 . . . . 99.989999999999995 111.009 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.511 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.8 t60 -127.97 164.99 21.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 99.989999999999995 109.549 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.511 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -43.41 144.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 109.997 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.8 mtp -97.57 -64.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 111.055 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.1 p -53.67 -50.53 65.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 110.354 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -56.15 127.13 29.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.307 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 36.9 t -125.72 129.88 24.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.304 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 38' ' ' VAL . 18.2 Cg_endo -75.01 142.88 28.34 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.516 1.798 . . . . 99.989999999999995 110.982 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.12 129.0 29.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.285 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.55 -9.51 32.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.443 1.089 . . . . 99.989999999999995 111.038 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.519 ' HE3' ' CD1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -104.66 155.09 19.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 99.989999999999995 111.053 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -134.12 159.6 40.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.296 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.46 HG12 ' CG2' ' A' ' 99' ' ' VAL . 3.8 mt -106.02 147.03 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.303 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -138.95 132.17 29.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.319 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.9 mt -111.47 137.01 45.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 99.989999999999995 109.311 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -150.57 161.51 42.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.967 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -129.65 117.98 21.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 99.989999999999995 109.375 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.505 ' HG3' ' CE1' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -121.21 177.02 5.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.99 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -55.36 -77.36 0.15 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 111.022 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.3 m -65.01 178.83 0.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.219 -1.03 . . . . 99.989999999999995 108.219 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -126.18 -49.19 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 99.989999999999995 111.006 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.519 ' CG ' ' HB3' ' A' ' 189' ' ' TYR . 12.1 m0 -83.22 -38.24 22.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 99.989999999999995 107.95 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.72 -47.77 86.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.128 . . . . 99.989999999999995 111.059 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 56' ' ' GLU . 32.0 m -70.65 -53.81 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 99.989999999999995 109.276 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.418 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.8 tt0 -49.33 -53.91 19.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 110.311 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -64.33 -27.89 69.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 110.233 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -41.64 75.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 109.263 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.538 ' CG ' HG12 ' A' ' 98' ' ' ILE . 6.6 m-85 -57.76 -49.95 74.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 110.961 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.61 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -68.29 -54.87 14.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 108.083 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.521 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 1.6 mm100 -48.91 -22.49 0.85 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 110.267 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.448 HD13 ' CG1' ' A' ' 113' ' ' VAL . 10.4 mt -76.05 142.22 72.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 113.03 3.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.443 1.759 . . . . 99.989999999999995 111.029 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.83 -21.76 4.4 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 110.947 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 59' ' ' PHE . 70.7 t -88.27 125.75 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.571 0.806 . . . . 99.989999999999995 109.301 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.519 ' CD1' ' HE3' ' A' ' 42' ' ' MET . 2.8 t80 -81.22 -56.99 3.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 110.935 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.9 p -148.57 160.05 43.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.05 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 20.4 p -141.22 167.73 21.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 110.355 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.14 142.91 22.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.286 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -97.79 139.85 33.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.077 . . . . 99.989999999999995 109.291 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.486 ' HA3' ' CE2' ' A' ' 179' ' ' PHE . . . -168.3 -159.26 13.55 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 110.981 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.57 ' CE2' ' HB1' ' A' ' 182' ' ' ALA . 5.1 m-85 -147.43 168.99 20.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 99.989999999999995 111.006 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.405 HG22 ' CB ' ' A' ' 95' ' ' ALA . 6.0 t -172.53 166.55 5.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.419 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.47 -12.49 67.74 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 110.974 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.505 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -77.16 172.13 55.13 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.951 -0.86 . . . . 99.989999999999995 110.951 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.491 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 0.6 OUTLIER -106.76 -29.16 9.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 0.807 . . . . 99.989999999999995 111.031 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.5 m -79.28 127.7 78.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.441 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -75.0 166.34 29.4 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.575 1.829 . . . . 99.989999999999995 110.981 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.402 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 54.8 m-80 40.44 64.6 4.6 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.293 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.538 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 18.5 Cg_endo -74.94 147.27 33.96 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.519 1.799 . . . . 99.989999999999995 111.009 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.9 m -116.33 155.62 28.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 99.989999999999995 110.464 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -56.2 -48.14 76.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 111.008 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -38.84 84.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.594 1.184 . . . . 99.989999999999995 110.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.428 ' OE2' ' CG2' ' A' ' 90' ' ' THR . 1.6 tt0 -68.04 -45.11 74.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 110.246 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.1 t -59.78 -38.82 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 109.263 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.437 ' O ' ' NE2' ' A' ' 133' ' ' GLN . 22.8 t -54.34 -21.29 9.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.049 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.9 m -64.64 -40.11 94.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 110.022 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 82.66 1.12 90.5 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.954 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -97.17 17.55 16.94 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.583 0.814 . . . . 99.989999999999995 109.339 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.428 ' CG2' ' OE2' ' A' ' 84' ' ' GLU . 6.1 p -108.59 -14.1 14.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 99.989999999999995 110.398 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.19 5.9 59.9 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.98 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.538 ' CD2' ' HB3' ' A' ' 80' ' ' PRO . 53.4 m-70 -73.04 151.58 41.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 0.799 . . . . 99.989999999999995 109.58 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -126.57 154.98 43.16 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 109.345 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -74.35 112.36 10.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 110.323 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.405 ' CB ' HG22 ' A' ' 73' ' ' THR . . . -135.65 153.93 51.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.314 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.9 m -142.99 141.78 26.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.327 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.16 128.97 39.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.3 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.538 HG12 ' CG ' ' A' ' 59' ' ' PHE . 3.0 mp -117.03 129.82 72.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 109.347 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.46 ' CG2' HG12 ' A' ' 44' ' ' ILE . 87.9 t -114.36 99.96 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 109.252 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.693 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 8.0 p90 -123.15 175.15 6.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.979 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.55 133.5 20.15 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 109.196 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.02 9.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.802 . . . . 99.989999999999995 111.009 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.26 -19.46 17.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.997 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.0 t -103.67 -49.37 9.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.318 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.8 tt -121.84 155.14 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 109.287 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 p -114.83 148.41 38.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 99.989999999999995 110.083 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.523 ' CE1' ' HG3' ' A' ' 108' ' ' GLU . 51.5 p90 -50.31 -29.51 9.93 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.936 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.523 ' HG3' ' CE1' ' A' ' 107' ' ' TYR . 0.5 OUTLIER -72.73 -31.61 65.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.257 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -40.36 85.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 110.265 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.693 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 8.3 mt -69.62 -41.8 75.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.249 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.24 -38.29 90.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 109.303 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.51 -54.2 26.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 110.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.448 ' CG1' HD13 ' A' ' 62' ' ' LEU . 21.7 t -63.01 -44.91 99.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.596 1.185 . . . . 99.989999999999995 109.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.505 ' CE1' ' HG3' ' A' ' 49' ' ' MET . 32.4 t80 -51.63 -53.16 41.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 99.989999999999995 111.042 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 42.4 m95 -67.19 -24.78 65.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 107.981 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -70.62 -32.15 69.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 110.344 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -103.9 4.35 34.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 109.265 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.59 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 26.1 t-80 -72.37 160.53 32.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.613 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.59 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 7.3 m-20 -99.16 144.91 29.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.335 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 160.33 40.12 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 99.989999999999995 110.997 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 99.989999999999995 109.332 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 86' ' ' SER . 6.4 mt-30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.267 -0.272 . . . . 99.989999999999995 110.267 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 32.5 p90 -86.17 125.13 33.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.997 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.3 173.63 11.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 99.989999999999995 110.322 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.2 p -111.06 98.57 7.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.079 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -129.16 162.6 27.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 109.249 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 4.4 mt -125.47 126.98 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 99.989999999999995 109.364 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -122.72 77.59 48.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 110.984 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.421 ' HB3' ' CG ' ' A' ' 145' ' ' GLN . 18.3 Cg_endo -75.04 162.74 36.54 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.521 1.801 . . . . 99.989999999999995 110.975 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.463 HD23 ' CB ' ' A' ' 176' ' ' ALA . 0.2 OUTLIER -114.66 -10.11 12.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 109.317 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.464 HG23 ' CG ' ' A' ' 145' ' ' GLN . 0.3 OUTLIER -120.58 151.84 54.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 110.456 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -37.86 1.86 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.499 1.789 . . . . 99.989999999999995 110.971 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.25 -48.75 78.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 110.356 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.464 ' CG ' HG23 ' A' ' 142' ' ' THR . 1.9 pt20 -69.82 -31.55 69.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 110.259 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.18 -44.97 92.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.294 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.88 -36.93 75.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 99.989999999999995 109.313 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -68.6 -43.98 75.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 109.249 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.03 -59.08 5.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 109.303 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -32.34 70.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 99.989999999999995 110.324 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.89 97.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.173 . . . . 99.989999999999995 109.238 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.7 p -75.57 -42.03 53.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 109.95 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.474 ' C ' ' CD2' ' A' ' 153' ' ' LEU . 0.6 OUTLIER -57.31 -51.37 69.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.314 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -60.7 -41.66 95.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 110.313 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -65.2 -43.03 92.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 110.266 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 115' ' ' TRP . 0.8 OUTLIER -60.41 -39.78 88.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 110.988 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 160' ' ' MET . 6.2 tt0 -65.32 -47.49 76.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 110.305 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.16 -30.97 67.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 109.289 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.79 77.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 109.333 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.519 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 9.9 ptm -67.92 -31.82 71.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.117 . . . . 99.989999999999995 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.519 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -61.07 -38.6 86.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 99.989999999999995 109.322 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.66 -17.03 62.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 109.313 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.443 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -83.57 -0.93 52.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 109.297 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 5.5 t0 77.25 31.28 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.277 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -106.63 133.1 51.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.321 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.51 -11.19 27.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 26.4 mmt-85 -72.6 69.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 110.238 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -65.71 145.73 55.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.103 . . . . 99.989999999999995 109.628 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.439 ' CD1' ' HG ' ' A' ' 153' ' ' LEU . 2.1 pt -64.02 140.49 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.342 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 10.2 t -108.21 27.54 9.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.354 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.455 ' CG2' HD13 ' A' ' 153' ' ' LEU . 1.9 t -80.62 136.81 36.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 110.37 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -120.04 139.26 52.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.282 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 15.8 mt -106.97 121.75 60.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.13 . . . . 99.989999999999995 109.309 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -136.93 161.74 35.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 109.356 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -41.22 159.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.292 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . 0.463 ' CB ' HD23 ' A' ' 141' ' ' LEU . . . -73.43 86.19 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 99.989999999999995 109.274 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 58.0 p -59.26 161.73 9.31 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 110.378 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 108.91 2.82 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 99.989999999999995 111.007 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.6 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.1 OUTLIER -76.84 145.08 38.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 110.977 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.32 112.77 19.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 110.955 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . 0.508 ' HA ' ' CZ ' ' A' ' 179' ' ' PHE . 43.5 m-85 -40.39 158.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.999 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.57 ' HB1' ' CE2' ' A' ' 72' ' ' TYR . . . -122.38 175.09 6.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 99.989999999999995 109.269 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -39.01 132.06 1.33 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 99.989999999999995 110.294 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.57 -24.13 19.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 109.297 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.78 -45.29 94.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 109.29 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -63.81 -38.79 92.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 99.989999999999995 109.588 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.88 109.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 110.308 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.52 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 10.0 mp0 54.82 56.82 6.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 110.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.519 ' HB3' ' CG ' ' A' ' 53' ' ' TRP . 9.0 t80 -84.04 -30.24 26.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.946 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.74 -46.38 46.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 99.989999999999995 109.249 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.42 ' ND1' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -60.35 -32.72 71.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.574 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.43 -47.78 82.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 109.265 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.1 OUTLIER -122.57 109.05 32.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.287 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 99.989999999999995 111.03 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 110.982 -0.43 . . . . 99.989999999999995 110.982 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.1 mtt -76.2 146.5 78.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 111.027 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 130.03 12.91 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.446 1.761 . . . . 99.989999999999995 111.023 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.408 HG23 ' CD2' ' A' ' 181' ' ' TYR . 26.6 t -113.46 132.99 60.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 109.313 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.51 167.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.267 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.7 m -83.28 -37.56 23.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.158 . . . . 99.989999999999995 110.398 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.475 ' CB ' ' C ' ' A' ' 33' ' ' HIS . 0.5 OUTLIER -129.88 161.71 30.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.302 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.479 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.8 t-80 -58.75 160.48 5.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 109.677 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.562 ' HB3' ' CE1' ' A' ' 191' ' ' HIS . . . -85.46 -34.02 21.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.305 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.479 ' HB ' ' CE1' ' A' ' 28' ' ' HIS . 44.2 t -87.61 -67.51 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 109.307 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.16 -38.64 65.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.274 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.77 32.04 61.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 111.0 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.475 ' C ' ' CB ' ' A' ' 27' ' ' LEU . 20.5 t60 -135.84 158.49 44.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 0.794 . . . . 99.989999999999995 109.627 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.1 p -39.44 143.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 99.989999999999995 110.013 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.99 -62.81 1.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 111.031 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.7 t -49.88 -44.63 50.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 110.447 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -54.46 134.95 46.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.376 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 t -137.93 116.08 9.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 109.275 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.405 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -74.97 139.6 24.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.528 1.804 . . . . 99.989999999999995 111.056 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.65 131.79 30.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 109.35 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.63 -4.88 32.73 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 111.012 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.474 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -106.91 165.26 11.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 0.807 . . . . 99.989999999999995 110.98 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -145.29 165.66 27.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 99.989999999999995 110.272 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mt -109.31 155.44 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 109.276 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -146.67 138.55 24.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.321 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.0 mt -117.03 146.67 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 99.989999999999995 109.241 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.544 ' CD2' ' CE2' ' A' ' 114' ' ' PHE . 33.8 m-85 -155.06 155.94 34.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 111.007 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -131.13 116.3 17.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.286 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.605 ' SD ' ' CE2' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -126.17 149.94 48.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 99.989999999999995 110.971 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -37.83 -42.92 1.16 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.579 1.175 . . . . 99.989999999999995 110.979 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.5 m -105.16 179.76 4.18 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.375 -0.972 . . . . 99.989999999999995 108.375 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 2.4 p90 -146.79 -44.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 111.062 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 22.4 m0 -64.72 -46.05 83.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 107.954 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.97 -41.89 17.47 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.568 1.167 . . . . 99.989999999999995 111.025 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 83.2 t -63.18 -59.1 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 0.736 . . . . 99.989999999999995 109.256 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 20.0 tt0 -53.87 -35.06 61.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 99.989999999999995 110.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.558 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 34.5 ttp85 -65.57 -39.56 91.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 110.366 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.547 ' CD2' ' ND2' ' A' ' 117' ' ' ASN . 0.3 OUTLIER -75.99 -20.94 57.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 109.324 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.692 ' CE2' ' CD1' ' A' ' 98' ' ' ILE . 0.1 OUTLIER -77.44 -53.56 7.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 111.04 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.558 ' CE3' ' HA ' ' A' ' 57' ' ' ARG . 0.5 OUTLIER -69.62 -12.7 61.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 107.983 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -85.77 -8.83 57.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.226 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.5 144.08 48.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 109.356 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 113.17 3.73 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 99.989999999999995 110.96 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.0 -13.73 5.75 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.999 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.448 ' CG1' ' HA ' ' A' ' 60' ' ' TRP . 20.3 t -78.88 110.68 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 99.989999999999995 109.304 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.474 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 3.9 t80 -78.87 -51.91 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 99.989999999999995 110.971 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -140.23 146.81 39.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 110.02 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.407 ' HG1' ' CE1' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -127.46 156.14 42.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 99.989999999999995 110.435 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.05 158.19 32.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.327 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 182' ' ' ALA . . . -125.92 134.88 51.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 99.989999999999995 109.25 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -153.47 -164.92 13.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.422 1.076 . . . . 99.989999999999995 111.023 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -137.3 160.23 39.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 0.779 . . . . 99.989999999999995 110.996 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.0 t -169.36 172.21 7.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 110.358 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.68 -19.24 55.51 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 111.035 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.24 -178.93 49.71 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.047 -0.821 . . . . 99.989999999999995 111.047 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.412 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 13.8 t80 -112.53 -19.1 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 99.989999999999995 110.956 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.401 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 21.6 m -74.99 117.84 65.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 99.989999999999995 110.415 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 150.22 37.53 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.451 1.764 . . . . 99.989999999999995 110.941 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.427 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 27.9 m-20 42.67 64.0 6.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.327 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.453 ' HB2' ' CG2' ' A' ' 85' ' ' VAL . 18.4 Cg_endo -74.92 151.93 40.53 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.526 1.803 . . . . 99.989999999999995 110.982 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.6 m -111.41 153.33 26.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 110.449 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -52.62 -39.66 61.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 99.989999999999995 110.979 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -69.05 -39.68 79.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 99.989999999999995 110.321 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -72.75 -44.73 61.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 110.286 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.453 ' CG2' ' HB2' ' A' ' 80' ' ' PRO . 50.6 t -61.77 -38.33 80.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 109.336 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.5 t -69.44 -25.85 64.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.592 1.182 . . . . 99.989999999999995 110.028 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.67 -33.97 71.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 109.954 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.46 14.5 61.67 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 111.039 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -99.03 16.25 23.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 0.756 . . . . 99.989999999999995 109.361 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.3 p -112.67 -25.0 9.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 110.331 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.69 16.83 68.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 111.012 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.401 ' NE2' ' O ' ' A' ' 77' ' ' THR . 28.6 m-70 -84.51 166.11 17.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 0.739 . . . . 99.989999999999995 109.591 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -125.61 167.71 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.317 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -85.37 124.69 32.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 99.989999999999995 110.355 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.81 164.27 32.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.314 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.7 m -144.42 146.22 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.3 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.57 ' HG3' ' CE1' ' A' ' 179' ' ' PHE . 0.1 OUTLIER -101.35 136.74 40.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 110.291 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.692 ' CD1' ' CE2' ' A' ' 59' ' ' PHE . 4.7 mp -130.83 134.34 61.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 109.278 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.471 ' CG2' ' CZ ' ' A' ' 97' ' ' ARG . 59.1 t -120.51 100.08 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.249 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -123.14 179.97 4.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 111.039 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.39 132.68 22.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 99.989999999999995 109.345 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -0.46 10.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.778 . . . . 99.989999999999995 111.028 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.15 -23.75 16.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.994 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.2 t -103.63 -37.93 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 109.268 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.425 HD13 ' N ' ' A' ' 106' ' ' SER . 0.2 OUTLIER -138.29 131.7 41.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 109.28 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.425 ' N ' HD13 ' A' ' 105' ' ' ILE . 3.9 p -92.98 154.28 18.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.021 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.482 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 10.4 p90 -62.89 -31.66 72.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 110.947 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.482 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 1.5 tt0 -59.1 -48.01 83.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 110.239 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -58.92 -41.25 86.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 110.249 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 46.5 mt -59.19 -46.95 87.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 109.257 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 87.8 mt -58.23 -40.43 81.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 109.354 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -41.86 84.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.15 . . . . 99.989999999999995 110.24 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.405 ' CG1' HD13 ' A' ' 58' ' ' LEU . 2.2 t -65.3 -53.35 41.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 109.313 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.605 ' CE2' ' SD ' ' A' ' 49' ' ' MET . 1.5 m-85 -56.15 -38.12 70.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 110.991 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.496 ' CH2' ' HB2' ' A' ' 156' ' ' PHE . 3.3 m95 -59.88 -29.54 68.39 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.961 -1.125 . . . . 99.989999999999995 107.961 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -86.79 -35.45 19.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.296 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.547 ' ND2' ' CD2' ' A' ' 58' ' ' LEU . 18.7 t-20 -87.43 5.79 37.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 109.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -69.42 155.98 39.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.637 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -105.05 158.48 31.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.342 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 160.18 40.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.518 1.799 . . . . 99.989999999999995 111.002 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 99.989999999999995 109.357 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.343 -0.243 . . . . 99.989999999999995 110.343 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -120.97 125.12 46.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.982 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -149.0 169.52 20.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.325 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.4 p -100.78 88.39 3.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 110.033 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -121.64 150.66 41.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 109.319 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 54.9 mt -113.94 132.64 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 99.989999999999995 109.266 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -123.31 77.47 53.25 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 99.989999999999995 111.009 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 169.8 21.79 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.433 1.754 . . . . 99.989999999999995 110.947 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -112.54 -56.46 2.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 109.265 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 67.3 p -63.94 159.97 50.62 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 99.989999999999995 110.394 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.7 3.61 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.552 1.817 . . . . 99.989999999999995 111.002 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.66 -47.63 68.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.288 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.419 ' HG3' ' CD1' ' A' ' 107' ' ' TYR . 34.6 tt0 -57.73 -38.33 75.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 110.252 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -45.81 91.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.309 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -72.2 -41.32 67.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.329 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -56.59 -52.65 64.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.289 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.9 -54.68 41.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.227 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.95 -44.72 82.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 110.306 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.1 -39.84 69.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.306 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.6 p -78.0 -34.14 50.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.975 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.503 ' C ' ' CD2' ' A' ' 153' ' ' LEU . 2.3 tt -64.74 -53.14 51.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.319 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.62 -20.0 62.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.26 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.6 -47.96 7.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 99.989999999999995 110.295 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.496 ' HB2' ' CH2' ' A' ' 115' ' ' TRP . 13.1 t80 -50.32 -55.81 13.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 99.989999999999995 111.032 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . 0.463 ' O ' ' CG ' ' A' ' 160' ' ' MET . 12.1 pt20 -59.33 -36.24 75.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 110.306 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.42 -32.1 68.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.16 77.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 109.268 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.482 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 7.6 ptm -68.02 -32.76 73.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 110.975 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.482 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.0 OUTLIER -60.96 -41.98 97.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.309 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.94 -22.01 66.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.279 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.437 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -84.14 -0.48 52.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 99.989999999999995 109.357 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.9 OUTLIER 77.44 33.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.278 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -106.28 127.1 52.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.287 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -99.12 -3.29 34.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.282 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -81.83 80.87 8.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.283 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -80.1 143.25 34.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 109.627 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -80.26 131.38 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 99.989999999999995 109.304 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 4.1 t -77.65 54.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.345 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.471 HG21 ' CD1' ' A' ' 153' ' ' LEU . 14.9 t -91.69 124.88 36.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.446 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -121.46 139.5 53.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 110.287 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 19.5 mt -118.35 129.44 74.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.248 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.85 168.94 19.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.273 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -44.69 166.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 109.346 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -89.33 85.51 6.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.311 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 20.7 p -59.94 161.77 11.41 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.408 1.067 . . . . 99.989999999999995 110.36 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 108.67 2.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 99.989999999999995 111.02 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 97' ' ' ARG . 4.1 p90 -83.36 145.25 29.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 99.989999999999995 110.969 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.63 118.75 37.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 111.035 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . 0.408 ' CD2' HG23 ' A' ' 24' ' ' VAL . 56.9 m-85 -44.78 143.03 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 111.006 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -98.62 173.45 6.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 109.297 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -44.88 126.53 5.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.322 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -49.06 -24.83 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.266 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -45.83 75.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 109.304 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -72.59 -45.09 60.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.413 1.07 . . . . 99.989999999999995 109.591 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . 0.448 ' C ' ' HG2' ' A' ' 188' ' ' GLN . 0.4 OUTLIER -47.95 122.09 4.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 99.989999999999995 110.264 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.528 ' OE1' ' CB ' ' A' ' 29' ' ' ALA . 4.0 pt20 40.47 57.86 2.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 110.308 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -85.07 -34.32 22.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 110.972 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 6.7 tp -66.2 -23.71 66.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.276 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.562 ' CE1' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -56.95 -34.41 68.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.613 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . 0.496 ' N ' ' CD2' ' A' ' 191' ' ' HIS . 6.9 tttt -67.96 -41.4 82.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.314 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.14 103.13 18.48 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 99.989999999999995 109.369 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.452 1.764 . . . . 99.989999999999995 110.994 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.932 0 N-CA-C 111.1 -0.384 . . . . 99.989999999999995 111.1 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.9 tpp -71.09 123.11 88.8 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 111.038 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 126.17 9.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 99.989999999999995 111.016 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.498 HG11 ' CD1' ' A' ' 181' ' ' TYR . 3.8 t -128.07 133.7 66.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.31 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.08 152.24 0.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.276 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -83.14 -40.62 19.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 110.438 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -106.79 134.46 49.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 109.258 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.575 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 13.5 t-80 -46.95 149.26 0.91 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.493 1.12 . . . . 99.989999999999995 109.573 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.471 ' CB ' ' OE1' ' A' ' 188' ' ' GLN . . . -80.65 -25.91 38.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.07 . . . . 99.989999999999995 109.289 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.604 ' CG1' ' CE2' ' A' ' 60' ' ' TRP . 80.6 t -95.56 -67.63 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.258 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -53.71 -40.57 66.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.232 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 73.11 32.1 60.89 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 111.071 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.53 170.82 15.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.776 . . . . 99.989999999999995 109.638 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 m -39.52 135.25 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 110.021 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.32 -56.39 2.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 111.097 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.2 p -70.14 -53.95 15.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.432 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -55.73 124.89 18.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 109.348 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.8 t -119.5 127.85 26.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 109.291 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 146.35 32.86 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.529 1.805 . . . . 99.989999999999995 111.029 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.53 134.16 53.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.574 1.171 . . . . 99.989999999999995 109.344 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.56 -14.53 32.57 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 110.995 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.54 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -104.48 164.53 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 99.989999999999995 110.99 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -141.74 161.63 37.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.355 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.41 HG12 ' CG2' ' A' ' 99' ' ' VAL . 3.2 mt -110.49 155.54 11.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 109.35 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -149.98 130.07 13.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.268 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.556 HG23 ' CD2' ' A' ' 139' ' ' TYR . 15.7 mt -95.9 142.7 13.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.397 1.061 . . . . 99.989999999999995 109.302 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -152.96 143.35 22.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 111.052 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.14 130.34 51.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 99.989999999999995 109.298 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.6 -172.85 3.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 111.063 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -67.87 -78.53 0.28 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 111.006 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.03 82.04 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.292 -1.003 . . . . 99.989999999999995 108.292 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.687 ' CZ ' ' CD1' ' A' ' 53' ' ' TRP . 8.5 p90 -53.06 -19.82 3.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.986 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.687 ' CD1' ' CZ ' ' A' ' 52' ' ' PHE . 4.2 m0 -65.01 -48.54 73.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 108.032 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -73.93 -42.47 37.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 111.014 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.549 HG13 ' CE2' ' A' ' 59' ' ' PHE . 21.9 t -57.65 -61.84 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 99.989999999999995 109.278 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.81 -37.15 29.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.181 . . . . 99.989999999999995 110.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.456 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 4.0 ttp-105 -73.59 -41.19 63.18 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.333 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.416 HD13 ' CG1' ' A' ' 113' ' ' VAL . 0.2 OUTLIER -68.45 -34.61 76.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.281 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.576 ' CD1' HG12 ' A' ' 98' ' ' ILE . 0.7 OUTLIER -60.24 -63.63 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.942 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.604 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -56.75 -53.01 62.7 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.01 -1.108 . . . . 99.989999999999995 108.01 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.551 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 2.4 mm-40 -48.75 -22.39 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 99.989999999999995 110.315 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.465 ' CD1' HG11 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -73.79 138.76 76.77 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 99.989999999999995 109.339 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 109.53 2.95 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.515 1.797 . . . . 99.989999999999995 111.02 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 134.69 -19.01 4.03 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.924 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.0 t -90.86 125.95 43.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 0.768 . . . . 99.989999999999995 109.312 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.54 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -75.2 -57.19 4.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 111.028 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m -158.26 165.22 35.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 110.009 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 37.1 p -133.65 163.2 29.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 110.473 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.585 ' HB1' ' CE1' ' A' ' 181' ' ' TYR . . . -142.67 121.64 12.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.349 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.434 ' CB ' ' OE1' ' A' ' 187' ' ' GLN . . . -88.73 129.0 35.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.272 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.492 ' N ' ' NH2' ' A' ' 97' ' ' ARG . . . -150.33 -166.6 13.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.963 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -127.37 154.24 45.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 0.782 . . . . 99.989999999999995 111.045 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.6 t -161.16 158.03 26.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.396 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.0 -15.18 59.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 111.045 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.454 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -86.75 171.3 43.01 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.037 -0.825 . . . . 99.989999999999995 111.037 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 11.2 m-85 -113.78 -22.13 10.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 0.749 . . . . 99.989999999999995 110.999 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.9 m -77.83 125.27 85.85 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.409 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.6 Cg_endo -74.9 161.81 38.38 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.535 1.808 . . . . 99.989999999999995 111.003 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.415 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 4.9 m120 40.3 64.24 4.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.253 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.458 ' HB2' ' CG2' ' A' ' 85' ' ' VAL . 18.4 Cg_endo -74.92 148.52 35.79 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.578 1.83 . . . . 99.989999999999995 111.001 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 39.3 m -107.96 163.21 13.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 99.989999999999995 110.457 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -62.02 -46.58 88.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 110.98 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -40.89 67.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 110.284 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -62.89 -45.14 93.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 99.989999999999995 110.252 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.458 ' CG2' ' HB2' ' A' ' 80' ' ' PRO . 47.3 t -64.45 -40.67 89.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 109.322 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.33 -25.73 36.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.989 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -37.08 81.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.975 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.462 ' CA ' ' OE1' ' A' ' 133' ' ' GLN . . . 81.04 14.74 78.77 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.412 1.07 . . . . 99.989999999999995 111.006 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -89.19 -12.65 40.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 0.78 . . . . 99.989999999999995 109.28 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 67.5 p -89.6 -25.6 21.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 110.362 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.84 17.17 70.86 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 111.015 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.454 ' CG ' ' HA3' ' A' ' 75' ' ' GLY . 60.6 m-70 -80.71 142.6 33.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 99.989999999999995 109.599 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.52 163.77 14.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 109.326 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.94 113.28 20.43 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.283 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.84 162.55 29.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 99.989999999999995 109.295 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.462 ' CG1' ' HB2' ' A' ' 52' ' ' PHE . 27.0 m -140.67 164.94 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 109.265 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.656 ' NE ' ' CD2' ' A' ' 179' ' ' PHE . 0.7 OUTLIER -113.25 142.83 45.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.248 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.576 HG12 ' CD1' ' A' ' 59' ' ' PHE . 3.3 mp -131.29 115.23 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.274 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.41 ' CG2' HG12 ' A' ' 44' ' ' ILE . 93.0 t -113.04 99.76 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 99.989999999999995 109.259 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.638 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 51.2 p90 -128.05 176.87 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.992 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.24 135.87 19.27 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.253 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -2.99 13.26 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.436 1.756 . . . . 99.989999999999995 111.02 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.85 -21.49 15.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 110.041 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 80.1 t -97.69 -49.85 11.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.267 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.484 HG22 ' CD1' ' A' ' 100' ' ' TYR . 2.0 tt -123.77 149.68 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.339 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.0 p -106.37 152.85 23.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.96 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 32.2 p90 -60.14 -31.37 70.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 111.003 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.457 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -61.22 -39.89 91.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 110.283 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -66.7 -46.67 74.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.276 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.638 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 25.4 mt -55.95 -49.58 73.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 109.281 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.22 -44.77 96.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 109.324 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -56.84 -50.86 71.15 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.255 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 62' ' ' LEU . 1.8 t -60.03 -50.57 79.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.313 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.424 ' O ' ' N ' ' A' ' 118' ' ' HIS . 4.4 t80 -54.49 -50.0 68.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 1.076 . . . . 99.989999999999995 110.966 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.494 ' HB3' ' CE1' ' A' ' 156' ' ' PHE . 71.4 m95 -65.29 -21.68 66.75 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.976 -1.12 . . . . 99.989999999999995 107.976 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -85.57 -26.96 25.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 110.326 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 113' ' ' VAL . 8.9 t-20 -104.23 4.34 33.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.585 1.178 . . . . 99.989999999999995 109.286 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.561 ' CD2' ' C ' ' A' ' 118' ' ' HIS . 0.0 OUTLIER -72.47 169.29 16.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 109.606 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.46 147.77 38.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 109.254 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 157.29 42.64 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.493 1.786 . . . . 99.989999999999995 111.006 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.255 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.462 ' OE1' ' CA ' ' A' ' 88' ' ' GLY . 25.2 mm100 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.269 -0.271 . . . . 99.989999999999995 110.269 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.519 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 35.4 p90 -85.97 128.07 34.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 99.989999999999995 110.997 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -146.01 168.03 21.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 110.248 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.6 m -111.0 131.94 54.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 110.032 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.436 ' HB2' ' CE2' ' A' ' 139' ' ' TYR . . . -163.4 150.8 12.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 109.231 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 8.0 mt -110.74 131.15 62.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.25 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.556 ' CD2' HG23 ' A' ' 46' ' ' ILE . 91.2 m-85 -126.63 79.13 71.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 111.019 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 169.89 21.62 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.504 1.792 . . . . 99.989999999999995 110.992 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -118.59 -45.54 2.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 109.307 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 67.7 p -81.15 160.93 64.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 110.444 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -34.55 3.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.535 1.808 . . . . 99.989999999999995 111.016 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.05 -42.94 83.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 110.346 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -58.8 -45.7 89.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 110.308 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -45.21 87.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.323 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.36 -41.3 96.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 99.989999999999995 109.387 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -67.57 -42.82 81.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.277 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.89 -58.0 9.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 109.318 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 151' ' ' ALA . 14.2 ptt180 -59.41 -31.95 69.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 110.228 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' A' ' 150' ' ' ARG . . . -62.38 -43.83 97.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.249 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 91.9 p -69.53 -49.06 57.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 109.986 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 4.7 tt -53.81 -53.05 57.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.331 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -55.67 -30.97 61.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.32 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -81.07 -35.93 31.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 99.989999999999995 110.282 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.494 ' CE1' ' HB3' ' A' ' 115' ' ' TRP . 0.3 OUTLIER -75.48 -46.89 29.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 99.989999999999995 110.974 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.77 -35.08 77.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 99.989999999999995 110.4 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -70.08 -45.98 65.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.3 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.81 -45.36 94.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 99.989999999999995 109.323 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -59.45 -46.9 87.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 110.999 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -31.9 72.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.14 -18.66 63.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.266 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.45 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -80.33 -4.88 55.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.609 1.193 . . . . 99.989999999999995 109.281 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 5.7 t70 77.68 21.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.406 1.066 . . . . 99.989999999999995 109.257 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.2 136.47 40.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.249 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.65 12.29 28.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 109.25 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.18 81.93 5.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 99.989999999999995 110.25 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -72.86 144.3 47.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 109.639 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 170' ' ' THR . 3.1 mp -67.57 142.08 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 109.285 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' THR . . . . . 0.406 ' N ' HG22 ' A' ' 169' ' ' ILE . 9.5 t -87.92 41.93 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 99.989999999999995 110.434 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.438 HG22 ' CH2' ' A' ' 115' ' ' TRP . 8.6 m -94.07 124.84 38.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 99.989999999999995 110.38 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -122.17 140.01 53.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 99.989999999999995 110.234 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 23.2 mt -111.72 121.18 63.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 109.247 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -149.34 164.61 34.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 109.295 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -42.15 162.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 99.989999999999995 109.293 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -85.43 83.43 7.94 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.294 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -60.61 163.14 9.71 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.61 1.194 . . . . 99.989999999999995 110.412 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 131.42 14.2 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.778 . . . . 99.989999999999995 110.994 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.656 ' CD2' ' NE ' ' A' ' 97' ' ' ARG . 17.9 p90 -100.2 144.9 28.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.431 1.082 . . . . 99.989999999999995 111.022 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -104.75 106.22 16.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 111.009 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . 0.585 ' CE1' ' HB1' ' A' ' 69' ' ' ALA . 0.6 OUTLIER -38.16 143.76 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 99.989999999999995 111.031 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.466 ' O ' ' CG2' ' A' ' 24' ' ' VAL . . . -103.35 174.04 6.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 99.989999999999995 109.271 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -46.3 143.98 2.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 110.318 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 13.0 p30 -64.31 -22.81 67.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 99.989999999999995 109.303 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -64.97 -38.68 91.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 99.989999999999995 109.302 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -69.02 -40.12 78.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.589 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . 0.434 ' OE1' ' CB ' ' A' ' 70' ' ' ALA . 2.6 mp0 -49.01 116.37 1.64 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 99.989999999999995 110.316 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.575 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 10.2 mp0 46.34 54.53 8.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 110.27 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.452 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 6.4 t80 -85.34 -31.19 23.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 111.049 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 8.2 tp -76.22 -39.92 53.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.279 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.502 ' CG ' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -56.46 -30.66 63.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.631 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -65.8 -38.17 88.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 109.339 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.502 ' ND2' ' N ' ' A' ' 193' ' ' ASN . 0.1 OUTLIER -138.35 101.15 8.34 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 109.307 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.464 1.771 . . . . 99.989999999999995 110.992 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 110.981 -0.43 . . . . 99.989999999999995 110.981 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.04 145.18 73.21 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 99.989999999999995 111.029 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 131.63 14.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.491 1.785 . . . . 99.989999999999995 110.98 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.4 t -121.52 128.21 75.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.274 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.79 150.27 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.356 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.3 m -77.36 -44.42 29.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 110.445 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.01 134.2 49.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 99.989999999999995 109.301 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.57 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 15.2 t-80 -48.95 155.16 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.63 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.3 -27.79 27.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 109.336 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.622 HG12 ' CE2' ' A' ' 60' ' ' TRP . 43.1 t -91.21 -68.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.292 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -54.5 -39.98 68.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.17 . . . . 99.989999999999995 109.316 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.25 23.33 76.09 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.994 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -132.78 170.92 14.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 0.725 . . . . 99.989999999999995 109.587 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -39.14 138.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.067 . . . . 99.989999999999995 110.007 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.409 ' HE1' ' NE2' ' A' ' 187' ' ' GLN . 0.0 OUTLIER -97.65 -65.02 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.99 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.7 p -63.55 -51.74 64.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 99.989999999999995 110.407 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -54.92 129.22 36.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.346 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 t -126.16 115.59 23.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.268 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 147.13 33.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.413 1.743 . . . . 99.989999999999995 110.967 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.11 131.01 36.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.4 -4.45 31.28 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 110.958 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.477 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -111.7 150.36 30.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 0.767 . . . . 99.989999999999995 111.045 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.73 165.33 20.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.323 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mt -121.69 155.58 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.311 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -149.66 145.28 26.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.397 1.061 . . . . 99.989999999999995 109.299 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 93.5 mt -118.97 128.43 75.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 99.989999999999995 109.246 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -137.92 151.49 48.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 110.922 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -130.46 121.19 25.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.297 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.435 ' HE1' ' CD2' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -137.39 155.21 49.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 111.031 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.56 -75.45 0.15 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.512 1.133 . . . . 99.989999999999995 110.96 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 55' ' ' VAL . 4.1 p -76.59 59.4 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.262 -1.014 . . . . 99.989999999999995 108.262 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.491 ' CD1' ' N ' ' A' ' 53' ' ' TRP . 9.0 p90 -50.81 -37.37 42.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.991 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.796 ' CH2' ' CD1' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -61.94 -51.01 69.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 108.046 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.486 ' HA2' ' CD1' ' A' ' 190' ' ' LEU . . . -70.99 -31.6 66.73 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.13 . . . . 99.989999999999995 111.007 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.471 ' HA ' ' CD2' ' A' ' 58' ' ' LEU . 73.2 t -65.14 -54.0 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 0.8 . . . . 99.989999999999995 109.306 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -40.72 51.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.292 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.495 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 1.4 ttt180 -68.36 -36.72 79.62 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.396 1.06 . . . . 99.989999999999995 110.37 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -71.78 -33.63 68.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.296 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.549 ' CZ ' HD11 ' A' ' 98' ' ' ILE . 1.0 OUTLIER -60.01 -63.61 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 99.989999999999995 110.973 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.622 ' CE2' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -56.58 -49.79 73.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 99.989999999999995 108.026 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.612 ' OE1' ' CZ2' ' A' ' 60' ' ' TRP . 11.4 mm100 -51.52 -20.34 1.86 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.587 1.179 . . . . 99.989999999999995 110.228 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.426 ' CD2' ' HD2' ' A' ' 63' ' ' PRO . 0.6 OUTLIER -76.99 140.35 66.54 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.292 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.426 ' HD2' ' CD2' ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.04 111.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 99.989999999999995 110.966 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.91 -17.18 4.65 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.415 1.072 . . . . 99.989999999999995 111.014 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 60' ' ' TRP . 27.2 t -89.52 121.11 39.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 99.989999999999995 109.256 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.477 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 1.1 t80 -78.1 -56.2 4.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.956 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.0 m -148.23 165.65 30.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 99.989999999999995 109.984 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.49 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 82.7 p -144.65 167.3 22.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 110.433 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.71 130.07 8.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.279 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.41 132.65 36.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.265 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' ALA . . . -158.23 -161.43 10.99 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 111.039 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.524 ' N ' ' CD1' ' A' ' 72' ' ' TYR . 0.6 OUTLIER -146.0 160.69 41.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 0.739 . . . . 99.989999999999995 110.978 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.491 ' OG1' ' CG2' ' A' ' 177' ' ' THR . 6.0 t -166.44 170.9 12.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.355 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.11 -18.89 56.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.995 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.576 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -79.69 -169.67 38.9 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.958 -0.857 . . . . 99.989999999999995 110.958 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -115.06 -31.39 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 0.728 . . . . 99.989999999999995 111.024 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.404 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 4.2 m -74.56 124.47 89.78 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.567 1.167 . . . . 99.989999999999995 110.393 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.87 147.5 34.64 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 99.989999999999995 111.08 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 49.7 65.23 7.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 109.307 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.45 ' HB2' ' CG2' ' A' ' 85' ' ' VAL . 18.3 Cg_endo -74.95 158.48 42.38 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.429 1.752 . . . . 99.989999999999995 110.971 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.482 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 20.5 m -116.43 158.34 23.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.438 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -65.44 -29.6 70.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 111.0 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -51.48 55.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 110.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 14.3 pt-20 -73.57 -44.5 57.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.308 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 81' ' ' THR . 52.3 t -55.52 -38.68 50.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.174 . . . . 99.989999999999995 109.262 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.1 t -56.2 -34.06 65.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 109.996 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.66 -39.43 84.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 110.015 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.07 15.14 63.23 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.978 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -95.06 19.31 10.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 0.816 . . . . 99.989999999999995 109.347 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.6 p -115.14 -12.77 11.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 110.341 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.79 6.2 58.94 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 111.009 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.576 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 26.4 m-70 -79.77 154.5 28.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.784 . . . . 99.989999999999995 109.6 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -121.38 163.36 18.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 109.295 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 3.1 mm-40 -82.05 112.13 18.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 71' ' ' GLY . . . -131.5 153.31 49.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.363 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 71.8 t -137.61 141.52 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.26 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.564 ' HB2' ' CE1' ' A' ' 179' ' ' PHE . 27.3 ttp180 -92.31 136.83 32.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 99.989999999999995 110.234 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.549 HD11 ' CZ ' ' A' ' 59' ' ' PHE . 3.3 mp -128.17 121.79 56.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 109.32 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.9 t -109.14 101.13 12.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 109.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.554 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 8.1 p90 -125.75 170.32 11.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.967 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -104.21 134.82 19.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.321 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -1.27 11.02 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 99.989999999999995 110.988 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.18 -13.66 23.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.979 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.9 t -114.03 -48.49 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.278 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.443 HG22 ' CD1' ' A' ' 100' ' ' TYR . 4.9 tp -123.24 142.15 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.589 1.181 . . . . 99.989999999999995 109.324 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.2 p -109.19 157.74 18.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 99.989999999999995 110.033 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.565 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 4.8 p90 -61.38 -30.69 70.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 110.99 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.565 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.6 tt0 -66.67 -33.53 75.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 110.328 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -75.29 -45.39 40.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 110.322 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.554 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 46.7 mt -56.84 -41.57 78.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.303 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.547 ' HB3' ' CZ2' ' A' ' 115' ' ' TRP . 18.3 mt -68.63 -44.87 73.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.307 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.41 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 1.4 tt0 -53.74 -45.61 70.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 110.302 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 114' ' ' PHE . 0.4 OUTLIER -70.32 -39.2 76.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 109.254 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.435 ' CD2' ' HE1' ' A' ' 49' ' ' MET . 12.4 t80 -56.74 -37.79 71.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 111.026 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.558 ' CZ2' ' OG ' ' A' ' 152' ' ' SER . 5.8 m0 -71.58 -17.73 62.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.987 -1.116 . . . . 99.989999999999995 107.987 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -84.12 -35.35 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 99.989999999999995 110.249 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.452 ' ND2' ' CD2' ' A' ' 58' ' ' LEU . 4.0 t-20 -91.06 -21.35 21.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.083 . . . . 99.989999999999995 109.268 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.6 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 13.1 t-80 -65.43 146.57 54.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 109.619 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.6 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 3.5 m-20 -107.48 152.22 41.26 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.244 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 173.03 15.22 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 99.989999999999995 111.014 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.413 1.071 . . . . 99.989999999999995 109.3 -179.939 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 94' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.295 -0.261 . . . . 99.989999999999995 110.295 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -87.09 39.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.975 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.21 150.95 38.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.266 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.5 p -102.23 121.91 43.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.97 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -151.07 162.13 41.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.312 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 44.7 mt -120.88 132.84 69.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.083 . . . . 99.989999999999995 109.322 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -126.46 81.23 68.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 111.113 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 168.17 25.44 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.792 . . . . 99.989999999999995 110.964 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.9 mp -116.14 -37.99 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 99.989999999999995 109.316 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 64.3 p -90.15 159.15 42.9 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 110.401 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -36.15 2.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 99.989999999999995 110.988 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -64.24 -37.74 88.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.273 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -71.48 -32.22 68.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.301 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -47.12 70.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 109.264 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.86 87.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 99.989999999999995 109.317 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.3 -43.15 67.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 109.325 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.02 -58.98 6.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 109.306 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -59.16 -31.09 68.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 110.283 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -63.42 -35.6 80.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.276 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.558 ' OG ' ' CZ2' ' A' ' 115' ' ' TRP . 1.4 m -65.22 -42.52 93.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.982 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 8.0 tt -61.62 -42.45 98.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 109.272 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -62.42 -45.57 92.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 99.989999999999995 110.358 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -70.45 -31.95 69.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 110.298 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.78 -41.28 92.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 110.971 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . 0.447 ' O ' ' CG ' ' A' ' 160' ' ' MET . 17.7 tt0 -65.59 -45.03 84.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 99.989999999999995 110.319 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.08 -31.72 68.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 99.989999999999995 109.251 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.4 -48.77 76.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 109.267 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.481 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 3.1 ptt? -68.11 -32.95 73.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 99.989999999999995 110.977 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.481 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.0 OUTLIER -60.93 -43.42 98.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 109.318 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.59 -22.15 66.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 1.073 . . . . 99.989999999999995 109.326 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -80.89 -6.1 58.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.31 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.4 OUTLIER 75.4 29.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 109.307 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -116.0 108.66 16.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.166 . . . . 99.989999999999995 109.346 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -87.56 47.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 109.333 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.58 93.82 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.364 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -62.63 145.78 53.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 109.601 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 170' ' ' THR . 2.9 mp -82.31 149.91 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 99.989999999999995 109.299 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' THR . . . . . 0.418 ' N ' HG22 ' A' ' 169' ' ' ILE . 20.0 m -91.16 43.13 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 110.474 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.4 m -91.31 124.77 35.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.574 1.172 . . . . 99.989999999999995 110.397 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.67 145.81 49.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 110.308 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 6.1 mt -119.49 127.02 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 99.989999999999995 109.32 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -142.64 165.2 28.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.277 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -48.97 162.22 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.42 1.075 . . . . 99.989999999999995 109.309 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -87.41 82.07 7.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.31 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' THR . . . . . 0.491 ' CG2' ' OG1' ' A' ' 73' ' ' THR . 0.5 OUTLIER -71.62 161.62 77.55 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 110.444 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 98.71 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.573 1.828 . . . . 99.989999999999995 111.033 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 0.4 OUTLIER -77.51 145.31 37.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.989 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -89.8 126.45 35.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 111.039 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -48.07 170.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 99.989999999999995 111.03 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -118.17 174.73 6.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -50.82 141.53 13.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 99.989999999999995 110.289 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -59.99 -28.8 68.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 99.989999999999995 109.321 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -35.73 81.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 109.241 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -79.33 -35.03 41.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.618 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . 0.409 ' NE2' ' HE1' ' A' ' 35' ' ' MET . 20.9 mm100 -50.1 112.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 110.338 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.449 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 7.2 mp0 45.54 56.73 5.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 110.249 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.796 ' CD1' ' CH2' ' A' ' 53' ' ' TRP . 13.1 t80 -85.46 -32.31 22.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 111.045 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.486 ' CD1' ' HA2' ' A' ' 54' ' ' GLY . 0.4 OUTLIER -73.73 -34.69 64.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.291 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -31.27 63.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.652 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -66.32 -27.18 67.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 109.324 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.97 97.87 10.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.282 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.475 1.777 . . . . 99.989999999999995 111.036 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 111.036 -0.409 . . . . 99.989999999999995 111.036 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.0 mtp -70.56 150.67 95.55 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 99.989999999999995 110.989 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 124.8 8.89 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.443 1.759 . . . . 99.989999999999995 111.054 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 49.8 t -137.46 140.01 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.275 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.38 150.46 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 109.291 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.3 m -77.45 -42.81 34.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.393 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.93 131.81 54.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 99.989999999999995 109.297 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.561 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 15.4 t-80 -50.71 155.93 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 109.609 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.455 ' HB2' ' CB ' ' A' ' 188' ' ' GLN . . . -84.9 -27.39 26.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.247 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.592 HG12 ' CE2' ' A' ' 60' ' ' TRP . 51.9 t -91.8 -67.4 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.254 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 11.6 t30 -55.83 -40.34 72.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 109.316 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.2 20.04 70.7 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.568 1.168 . . . . 99.989999999999995 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -134.15 170.26 15.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 0.738 . . . . 99.989999999999995 109.592 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' HIS . 11.4 m -39.38 145.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.019 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.18 -38.86 9.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 111.01 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 t -90.73 20.34 4.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 110.384 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -93.94 127.35 39.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.283 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.4 t -137.58 99.78 9.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 109.241 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 134.92 18.31 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 99.989999999999995 110.953 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.65 125.1 2.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 99.989999999999995 109.326 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.29 1.01 31.31 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.443 1.089 . . . . 99.989999999999995 110.97 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -104.09 165.64 10.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 0.747 . . . . 99.989999999999995 110.979 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.62 152.61 42.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 99.989999999999995 110.285 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mt -104.95 148.98 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.286 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -138.11 131.92 31.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.36 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.613 ' CG2' ' CE2' ' A' ' 179' ' ' PHE . 97.1 mt -120.52 135.19 61.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 109.252 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.4 ' CE2' HG22 ' A' ' 138' ' ' ILE . 78.5 m-85 -146.38 165.33 29.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 110.982 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -139.41 133.04 30.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 99.989999999999995 109.227 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.503 ' SD ' ' CE1' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -149.42 -172.25 4.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 111.04 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' PHE . . . -69.96 -80.97 0.25 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.961 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.531 ' O ' ' CG2' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -62.08 82.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.267 -1.012 . . . . 99.989999999999995 108.267 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.709 ' CE1' ' CG1' ' A' ' 96' ' ' VAL . 73.7 t80 -61.34 -28.15 69.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 111.015 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.464 ' HB3' ' CG ' ' A' ' 190' ' ' LEU . 8.3 m0 -82.39 -40.43 21.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 99.989999999999995 107.982 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.23 -28.37 62.19 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.491 1.12 . . . . 99.989999999999995 110.965 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 42.9 t -66.31 -60.36 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 0.785 . . . . 99.989999999999995 109.279 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 59' ' ' PHE . 12.5 pt-20 -49.24 -38.76 27.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 110.272 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.536 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 7.6 mmp_? -70.46 -38.47 74.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 99.989999999999995 110.307 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.87 -20.12 66.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 109.271 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.572 ' CE2' ' CD1' ' A' ' 98' ' ' ILE . 2.1 m-85 -81.94 -53.73 5.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 110.994 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.645 ' CZ2' ' NE2' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -70.19 -50.98 34.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 108.006 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.645 ' NE2' ' CZ2' ' A' ' 60' ' ' TRP . 1.4 mm-40 -50.34 -20.79 1.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 110.315 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.4 HD23 ' CD1' ' A' ' 105' ' ' ILE . 0.3 OUTLIER -81.09 139.81 49.4 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 109.331 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 108.6 2.75 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.469 1.773 . . . . 99.989999999999995 111.072 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.07 -21.83 2.96 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 111.017 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 59' ' ' PHE . 41.4 t -85.99 123.07 39.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 99.989999999999995 109.272 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.404 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 9.1 t80 -81.18 -55.28 4.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 111.008 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 m -147.23 165.81 28.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 110.001 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.5 p -147.97 160.82 42.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 110.404 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.508 ' HB3' ' CE1' ' A' ' 181' ' ' TYR . . . -148.8 142.65 25.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.338 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . . . -102.16 127.43 49.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.269 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 95' ' ' ALA . . . -141.81 -170.77 12.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.145 . . . . 99.989999999999995 111.006 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.577 ' CE1' HG13 ' A' ' 85' ' ' VAL . 93.0 m-85 -124.96 153.76 42.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 99.989999999999995 111.025 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.586 HG21 ' CZ ' ' A' ' 179' ' ' PHE . 8.8 t -153.19 162.07 41.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 110.449 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.61 -11.84 54.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 111.043 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.565 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -80.72 169.47 52.27 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.016 -0.834 . . . . 99.989999999999995 111.016 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -114.76 -18.92 11.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 99.989999999999995 111.068 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.483 ' CG2' ' HB3' ' A' ' 80' ' ' PRO . 94.8 m -77.92 131.03 71.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 110.358 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.4 Cg_endo -75.02 119.33 5.6 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.508 1.794 . . . . 99.989999999999995 110.97 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 40.01 65.68 3.66 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.283 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.565 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.97 177.34 8.71 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.556 1.819 . . . . 99.989999999999995 111.06 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.45 ' OG1' ' CB ' ' A' ' 84' ' ' GLU . 71.8 p -95.39 152.73 18.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 110.356 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -54.16 -45.42 72.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 110.98 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -35.29 79.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 110.287 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.483 ' HG2' ' CG2' ' A' ' 90' ' ' THR . 38.6 tt0 -72.36 -34.02 67.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 110.278 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.577 HG13 ' CE1' ' A' ' 72' ' ' TYR . 3.2 t -70.09 -40.01 77.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.275 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.3 p -63.96 -27.44 69.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 99.989999999999995 109.999 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 53.7 m -62.47 -36.26 81.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 99.989999999999995 110.002 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.36 15.76 61.65 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 110.987 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -91.89 -0.26 57.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 0.744 . . . . 99.989999999999995 109.301 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.483 ' CG2' ' HG2' ' A' ' 84' ' ' GLU . 12.4 p -108.26 -25.32 11.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 110.418 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.38 25.04 69.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 111.031 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.565 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 29.7 m-70 -83.09 145.8 29.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 0.774 . . . . 99.989999999999995 109.648 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -116.6 159.17 22.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 99.989999999999995 109.319 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.58 ' CG ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -76.76 111.04 11.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 110.253 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.458 ' HB3' ' CD2' ' A' ' 179' ' ' PHE . . . -142.77 151.13 40.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 109.27 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.709 ' CG1' ' CE1' ' A' ' 52' ' ' PHE . 10.4 m -142.38 149.2 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 109.313 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.8 144.85 30.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 99.989999999999995 110.302 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.572 ' CD1' ' CE2' ' A' ' 59' ' ' PHE . 4.5 mp -134.15 134.13 55.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 99.989999999999995 109.261 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.2 t -113.46 102.49 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 99.989999999999995 109.346 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -120.47 179.54 4.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 110.986 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.82 131.27 21.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 99.989999999999995 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -3.14 13.49 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.519 1.799 . . . . 99.989999999999995 111.011 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 t -95.21 -26.87 15.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 110.03 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.4 t -85.65 -49.14 15.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 109.327 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.4 ' CD1' HD23 ' A' ' 62' ' ' LEU . 14.8 tt -131.64 155.61 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 109.327 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 92.9 p -101.09 152.06 21.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.04 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.605 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 25.3 p90 -56.73 -37.37 70.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 110.993 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.605 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 20.4 pt-20 -61.82 -39.45 91.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.301 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -59.58 -47.03 87.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 110.249 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 18.6 mt -59.74 -39.84 86.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.274 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.48 ' O ' ' CD2' ' A' ' 115' ' ' TRP . 4.5 mt -69.86 -29.43 66.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.235 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.555 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 2.9 tt0 -58.1 -50.87 71.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.271 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -73.03 -34.39 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.32 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.523 ' CZ ' HG12 ' A' ' 138' ' ' ILE . 87.0 t80 -54.13 -38.06 65.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.178 . . . . 99.989999999999995 110.999 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.555 ' CE3' ' HA ' ' A' ' 112' ' ' GLN . 3.9 m0 -74.72 -25.96 59.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 99.989999999999995 108.05 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -80.88 -36.05 31.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 110.268 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.464 ' HB2' ' CE ' ' A' ' 49' ' ' MET . 34.2 m120 -93.59 5.34 51.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.512 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -72.65 171.75 11.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 99.989999999999995 109.603 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.512 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 0.9 OUTLIER -114.8 146.27 35.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.267 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 156.5 42.7 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.811 . . . . 99.989999999999995 110.98 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.299 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.258 -0.275 . . . . 99.989999999999995 110.258 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.425 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 25.7 p90 -117.97 127.72 54.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 111.03 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -144.35 128.35 17.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.085 . . . . 99.989999999999995 110.273 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.6 m -64.81 107.79 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 99.989999999999995 109.998 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -142.85 144.72 32.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.393 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.523 HG12 ' CZ ' ' A' ' 114' ' ' PHE . 50.2 mt -110.07 132.95 56.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -126.92 80.84 70.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 111.001 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 167.37 27.16 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.456 1.766 . . . . 99.989999999999995 111.003 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 7.1 mt -108.64 -56.7 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.283 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.4 p -76.68 163.99 62.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 110.411 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -35.55 3.05 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.546 1.814 . . . . 99.989999999999995 111.035 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.89 -36.41 74.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 110.372 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.423 ' HG2' ' CB ' ' A' ' 107' ' ' TYR . 45.9 mt-30 -72.98 -43.98 61.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 110.261 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.72 -43.06 72.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.254 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.98 -50.21 43.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 99.989999999999995 109.332 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -55.97 -48.02 76.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 109.27 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.84 -58.46 7.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.367 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -56.05 -39.04 71.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.306 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.3 -45.5 80.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.312 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.515 ' CB ' ' CZ2' ' A' ' 115' ' ' TRP . 7.8 p -69.01 -42.15 76.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 99.989999999999995 109.957 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.469 ' C ' ' CD2' ' A' ' 153' ' ' LEU . 3.5 tt -58.68 -52.45 65.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 109.214 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.13 -29.89 70.65 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 110.34 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -75.93 -53.93 7.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 110.25 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -54.55 -46.37 73.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.971 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -59.39 -46.93 87.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 110.221 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.07 81.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 109.313 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.22 -43.6 95.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 99.989999999999995 109.28 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 9.8 ttp -62.58 -37.93 88.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 111.071 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -39.61 94.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 109.331 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.52 -20.26 64.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 109.318 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -77.15 -7.57 56.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.288 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.4 t70 81.79 24.87 0.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 109.255 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.05 122.13 45.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.29 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -92.24 7.54 42.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 99.989999999999995 109.328 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -83.27 75.66 9.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.34 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.436 ' NE2' ' O ' ' A' ' 169' ' ' ILE . 3.0 t-80 -61.72 140.44 58.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.565 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.436 ' O ' ' NE2' ' A' ' 168' ' ' HIS . 1.0 OUTLIER -79.29 142.47 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 109.279 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 1.5 t -92.81 56.24 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.378 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 5.4 p -90.41 124.72 35.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.409 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -121.68 133.46 54.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 110.36 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 21.6 mt -109.4 121.85 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 99.989999999999995 109.268 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -137.07 168.29 19.88 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.292 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -54.05 163.18 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 109.304 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -93.0 67.0 4.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 109.314 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' THR . . . . . 0.405 ' OG1' ' HD2' ' A' ' 178' ' ' PRO . 0.5 OUTLIER -59.6 163.95 6.2 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.404 1.065 . . . . 99.989999999999995 110.364 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . 0.405 ' HD2' ' OG1' ' A' ' 177' ' ' THR . 18.0 Cg_endo -75.0 105.68 2.13 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.44 1.758 . . . . 99.989999999999995 110.93 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.613 ' CE2' ' CG2' ' A' ' 46' ' ' ILE . 10.7 m-30 -85.28 147.37 26.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.082 . . . . 99.989999999999995 111.012 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . 0.409 ' O ' ' O ' ' A' ' 181' ' ' TYR . 59.8 m-85 -88.68 119.22 28.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.991 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 69' ' ' ALA . 18.2 m-85 -46.51 174.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 111.009 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -118.55 173.99 6.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 109.288 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . 0.473 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 0.4 OUTLIER -42.55 132.55 3.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.286 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -55.39 -23.15 23.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 99.989999999999995 109.311 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.83 -44.01 82.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 99.989999999999995 109.339 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . 0.473 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 75.7 m-70 -68.48 -37.43 80.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.598 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -49.47 108.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 110.349 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.455 ' CB ' ' HB2' ' A' ' 29' ' ' ALA . 4.8 mp0 59.49 44.96 14.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 110.278 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.554 ' C ' ' CD1' ' A' ' 189' ' ' TYR . 0.6 OUTLIER -85.14 -24.43 27.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.968 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.464 ' CG ' ' HB3' ' A' ' 53' ' ' TRP . 0.4 OUTLIER -74.58 -46.56 37.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 109.262 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.432 ' N ' ' HD2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -65.21 -29.03 69.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 99.989999999999995 109.574 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.87 -29.59 70.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 109.278 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.3 OUTLIER -139.05 108.72 7.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.343 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.415 1.745 . . . . 99.989999999999995 110.96 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 110.995 -0.425 . . . . 99.989999999999995 110.995 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.75 135.72 63.69 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.587 1.179 . . . . 99.989999999999995 110.959 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 127.12 10.44 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.461 1.769 . . . . 99.989999999999995 111.015 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.0 t -116.13 127.52 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 109.302 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -40.66 154.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.299 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.401 ' C ' HD13 ' A' ' 27' ' ' LEU . 51.1 m -80.65 -45.16 17.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.572 1.17 . . . . 99.989999999999995 110.386 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.401 HD13 ' C ' ' A' ' 26' ' ' THR . 0.1 OUTLIER -112.78 148.77 34.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.318 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.569 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 20.6 t-80 -56.29 157.42 4.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 109.588 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.23 -25.91 27.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.296 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.583 HG11 ' CE2' ' A' ' 60' ' ' TRP . 45.8 t -95.11 -67.89 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.317 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 66' ' ' TYR . 1.4 t30 -56.31 -38.29 71.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.12 . . . . 99.989999999999995 109.266 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.35 14.83 79.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 111.026 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.488 ' CG ' ' N ' ' A' ' 34' ' ' SER . 22.5 t60 -126.96 163.48 23.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.763 . . . . 99.989999999999995 109.573 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.488 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -42.72 131.54 3.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.974 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.1 ptm -99.59 -14.19 19.09 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 111.014 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' A' ' 37' ' ' ASN . 8.9 t -96.36 -53.75 3.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 99.989999999999995 110.446 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.445 ' N ' ' CG2' ' A' ' 36' ' ' THR . 2.8 m-20 -55.02 133.4 48.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.322 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 78.8 t -122.85 102.86 37.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.265 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 40' ' ' ASP . 18.1 Cg_endo -75.02 139.68 24.5 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.557 1.82 . . . . 99.989999999999995 110.934 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' PRO . 38.5 m-20 -40.04 125.39 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.574 1.171 . . . . 99.989999999999995 109.339 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.26 2.82 29.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.626 1.204 . . . . 99.989999999999995 110.986 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.509 ' HE3' ' CD1' ' A' ' 66' ' ' TYR . 5.3 mmt -114.79 151.57 33.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.578 0.81 . . . . 99.989999999999995 110.991 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -135.8 150.17 49.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 110.344 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.445 ' CG2' ' CG ' ' A' ' 97' ' ' ARG . 3.7 mt -107.77 152.38 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.272 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.41 130.57 15.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 99.989999999999995 109.366 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.416 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 7.3 mt -109.39 138.08 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.327 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.575 ' CE2' HG23 ' A' ' 138' ' ' ILE . 23.7 m-85 -149.54 165.03 33.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 111.048 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -133.71 127.84 33.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 109.306 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -139.28 158.31 44.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 99.989999999999995 110.943 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.0 -62.32 3.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 111.03 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.482 ' CB ' HG22 ' A' ' 55' ' ' VAL . 1.2 m -62.51 -179.63 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.277 -1.008 . . . . 99.989999999999995 108.277 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -145.51 -68.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 110.949 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 36.9 m0 -66.26 -34.73 78.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 107.987 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.06 -27.58 57.95 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 110.99 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.53 HG11 ' CE2' ' A' ' 59' ' ' PHE . 28.9 t -69.27 -62.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 99.989999999999995 109.31 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -38.84 39.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.263 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.486 ' CZ ' ' CD ' ' A' ' 61' ' ' GLN . 34.4 ttt85 -75.88 -24.69 55.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 99.989999999999995 110.334 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.3 -22.08 57.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 99.989999999999995 109.328 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.561 ' CD2' HG12 ' A' ' 98' ' ' ILE . 16.7 m-85 -82.65 -56.62 3.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 110.959 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.586 ' C ' ' CE3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -56.36 -55.66 30.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 99.989999999999995 108.065 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.553 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 3.7 mt-30 -49.22 -22.49 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 99.989999999999995 110.329 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.465 ' CD1' HG11 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -77.11 139.92 65.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 99.989999999999995 109.301 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 110.87 3.2 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.547 1.814 . . . . 99.989999999999995 110.99 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.45 ' HA2' ' CG1' ' A' ' 104' ' ' VAL . . . 131.91 -17.0 4.96 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 111.003 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 38.0 t -90.45 125.97 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 99.989999999999995 109.312 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.509 ' CD1' ' HE3' ' A' ' 42' ' ' MET . 4.5 t80 -81.19 -57.19 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 110.984 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.0 p -150.63 162.34 40.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.986 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 67.1 p -137.28 160.21 39.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.453 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' CE2' ' A' ' 179' ' ' PHE . . . -147.21 128.58 14.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.308 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.29 140.24 29.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 109.257 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 95' ' ' ALA . . . -170.96 -157.34 12.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.967 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -140.87 153.65 45.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 99.989999999999995 111.017 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.444 HG23 ' CB ' ' A' ' 95' ' ' ALA . 3.2 p -147.04 174.53 11.46 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.44 1.087 . . . . 99.989999999999995 110.385 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.31 -10.91 57.52 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 110.949 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.519 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -88.96 164.35 32.44 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.943 -0.863 . . . . 99.989999999999995 110.943 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -111.24 -20.85 12.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 99.989999999999995 111.012 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 22.2 m -74.79 127.39 87.15 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 110.466 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 162.14 37.62 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 99.989999999999995 110.967 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.415 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 2.0 m120 40.44 64.64 4.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.3 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.538 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -75.05 129.93 12.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 99.989999999999995 111.039 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.2 m -103.02 164.72 11.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 110.419 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -60.53 -39.03 86.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 111.026 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -45.69 61.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 110.295 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.14 -44.97 94.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 110.35 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 43.0 t -59.93 -39.84 81.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.283 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.2 m -62.18 -24.87 67.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 110.059 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.6 m -65.33 -38.2 89.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 110.031 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 82.42 5.63 89.38 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 110.986 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.91 4.21 54.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.75 . . . . 99.989999999999995 109.276 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.6 p -101.02 -17.22 16.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 110.394 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.54 9.5 55.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 111.005 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.538 ' CD2' ' HB3' ' A' ' 80' ' ' PRO . 28.7 m-70 -73.59 150.04 41.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 0.8 . . . . 99.989999999999995 109.624 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -123.29 160.89 25.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.294 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.88 111.93 10.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 110.281 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.444 ' CB ' HG23 ' A' ' 73' ' ' THR . . . -143.95 162.07 37.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 99.989999999999995 109.234 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.1 m -149.91 153.49 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 109.304 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.445 ' CG ' ' CG2' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -97.34 139.04 33.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 110.338 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.561 HG12 ' CD2' ' A' ' 59' ' ' PHE . 3.9 mt -129.32 116.18 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 109.288 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.472 ' O ' ' CB ' ' A' ' 66' ' ' TYR . 59.5 t -101.6 102.86 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 109.246 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -125.33 169.29 12.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.401 1.063 . . . . 99.989999999999995 110.969 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.408 ' CB ' ' HE1' ' A' ' 42' ' ' MET . 0.0 OUTLIER -106.37 131.2 21.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 99.989999999999995 109.246 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -0.68 10.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.535 1.808 . . . . 99.989999999999995 110.962 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.58 -22.71 18.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.999 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.45 ' CG1' ' HA2' ' A' ' 64' ' ' GLY . 57.6 t -97.85 -46.52 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.272 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.0 tt -129.38 157.46 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 109.28 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 82.6 p -107.78 159.82 16.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.974 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.512 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 32.6 p90 -60.15 -33.28 71.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 111.004 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.512 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 8.4 pt-20 -70.61 -31.05 67.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 99.989999999999995 110.334 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.415 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 30.6 mt-30 -64.6 -44.33 90.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 110.271 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.1 mt -62.67 -49.55 74.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.305 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.56 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 5.8 mt -57.09 -35.32 69.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.388 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -52.91 63.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 99.989999999999995 110.362 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 62' ' ' LEU . 1.9 t -66.61 -44.84 89.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 99.989999999999995 109.293 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.536 ' CZ ' ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -51.09 -52.24 45.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.41 1.069 . . . . 99.989999999999995 110.978 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.567 ' CH2' ' HG ' ' A' ' 153' ' ' LEU . 39.0 m95 -66.98 -19.89 65.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 99.989999999999995 107.999 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -79.89 -37.96 33.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 99.989999999999995 110.241 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -93.86 -3.89 51.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.298 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -71.76 158.26 36.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.388 1.055 . . . . 99.989999999999995 109.593 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.89 143.41 27.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.309 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 159.92 40.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.367 1.72 . . . . 99.989999999999995 110.961 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 99.989999999999995 109.295 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.27 -0.27 . . . . 99.989999999999995 110.27 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.481 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 34.7 p90 -111.08 125.09 53.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.593 1.183 . . . . 99.989999999999995 111.0 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 12.5 ptt85 -148.59 172.27 14.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.358 1.036 . . . . 99.989999999999995 110.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.7 m -97.05 117.52 31.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.057 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -146.32 166.53 26.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 99.989999999999995 109.27 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.575 HG23 ' CE2' ' A' ' 47' ' ' PHE . 5.8 mt -125.08 131.09 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 99.989999999999995 109.256 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -127.9 82.95 67.42 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 99.989999999999995 110.958 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.514 ' O ' ' CB ' ' A' ' 176' ' ' ALA . 18.4 Cg_endo -75.04 166.13 29.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 99.989999999999995 111.019 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.2 8.66 19.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 99.989999999999995 109.299 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 29.2 p -146.21 161.19 40.18 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.407 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -36.74 2.34 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.47 1.774 . . . . 99.989999999999995 110.972 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -62.98 -34.25 77.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 110.339 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -73.2 -36.95 66.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 110.328 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -44.67 85.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 99.989999999999995 109.27 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.47 ' O ' ' CB ' ' A' ' 151' ' ' ALA . . . -66.27 -39.19 89.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 99.989999999999995 109.284 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -68.37 -47.2 68.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.272 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 153' ' ' LEU . . . -55.99 -59.44 4.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 99.989999999999995 109.277 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -58.84 -43.94 90.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 110.317 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 147' ' ' ALA . . . -54.37 -44.32 72.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.173 . . . . 99.989999999999995 109.339 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.1 p -78.39 -32.37 48.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.996 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.567 ' HG ' ' CH2' ' A' ' 115' ' ' TRP . 2.8 tt -59.77 -53.92 52.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.254 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 158' ' ' ALA . 12.7 pt-20 -67.1 -41.75 85.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -55.74 -39.41 71.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 110.269 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -79.27 -55.41 5.1 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.563 1.165 . . . . 99.989999999999995 111.031 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . 0.471 ' HG3' ' CD1' ' A' ' 169' ' ' ILE . 67.2 mm-40 -57.27 -37.45 72.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 99.989999999999995 110.265 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 154' ' ' GLU . . . -59.56 -39.7 84.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 109.325 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.48 98.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 109.276 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 11.8 ttp -65.78 -41.25 92.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 111.045 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -30.14 70.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 109.337 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.51 -19.14 65.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 109.241 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -88.15 11.31 16.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 99.989999999999995 109.343 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.53 37.09 10.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 109.31 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -95.51 109.17 21.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 99.989999999999995 109.316 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 168' ' ' HIS . 1.9 p-10 -72.99 -6.09 43.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.332 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.46 68.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 110.314 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.505 ' CD2' ' O ' ' A' ' 168' ' ' HIS . 2.2 p-80 -68.46 120.75 15.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 99.989999999999995 109.581 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 157' ' ' GLN . 0.1 OUTLIER -66.73 142.27 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.276 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 62.7 m -108.94 51.68 0.74 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 110.417 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.559 ' CG2' ' CD1' ' A' ' 153' ' ' LEU . 3.6 t -91.56 136.34 33.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.093 . . . . 99.989999999999995 110.433 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.33 139.34 52.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 110.254 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . 0.453 ' CD1' HD11 ' A' ' 153' ' ' LEU . 10.6 mt -114.09 122.87 69.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 109.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -135.49 161.67 34.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 109.333 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -44.87 162.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.247 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 140' ' ' PRO . . . -73.6 87.07 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 109.334 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' THR . . . . . 0.403 ' HB ' ' HD2' ' A' ' 178' ' ' PRO . 27.9 p -59.1 164.2 4.89 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.378 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . 0.403 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -74.98 112.9 3.67 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.544 1.813 . . . . 99.989999999999995 111.023 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.536 ' CZ ' ' HA ' ' A' ' 181' ' ' TYR . 0.2 OUTLIER -76.62 136.82 39.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 111.009 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 181' ' ' TYR . 0.5 OUTLIER -112.08 106.42 15.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 110.982 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . 0.536 ' HA ' ' CZ ' ' A' ' 179' ' ' PHE . 36.1 m-85 -38.38 158.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 111.016 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 183' ' ' GLU . . . -122.67 175.67 6.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.286 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 182' ' ' ALA . 0.0 OUTLIER -37.25 140.01 0.21 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 110.255 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -60.37 -24.65 65.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 109.316 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.56 -42.02 95.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 109.267 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -63.14 -43.46 98.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 99.989999999999995 109.597 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -47.85 108.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 110.272 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.568 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 11.6 mp0 53.32 58.45 5.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.238 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.409 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 8.7 t80 -86.28 -27.94 24.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.934 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.478 ' HB3' ' CD ' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -76.49 -47.05 24.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.401 1.063 . . . . 99.989999999999995 109.265 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.411 ' ND1' ' CG2' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -58.9 -28.73 66.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 109.673 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -32.11 73.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.347 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.9 OUTLIER -138.98 109.3 7.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.223 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.593 1.838 . . . . 99.989999999999995 111.008 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 111.029 -0.412 . . . . 99.989999999999995 111.029 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.4 mtp -71.1 146.97 93.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 111.006 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 137.92 22.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.529 1.805 . . . . 99.989999999999995 110.999 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 181' ' ' TYR . 70.1 t -128.82 139.18 52.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 109.301 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.06 152.63 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 109.353 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.5 m -79.04 -44.5 22.07 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.379 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.465 ' N ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -111.2 142.12 43.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 99.989999999999995 109.315 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.567 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 16.3 t-80 -50.52 156.44 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.642 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.05 -25.76 27.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 99.989999999999995 109.288 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.602 HG12 ' CE2' ' A' ' 60' ' ' TRP . 56.0 t -95.26 -67.06 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -56.27 -38.0 70.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 99.989999999999995 109.286 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.96 17.03 75.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 111.031 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.488 ' CG ' ' N ' ' A' ' 34' ' ' SER . 25.4 t60 -132.06 163.36 28.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 0.774 . . . . 99.989999999999995 109.601 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.488 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 19.0 t -46.7 131.71 11.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.997 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.18 -29.15 13.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 110.957 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 37' ' ' ASN . 3.2 t -75.81 -34.7 60.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.068 . . . . 99.989999999999995 110.388 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.409 ' N ' HG22 ' A' ' 36' ' ' THR . 6.5 m-20 -64.29 130.64 44.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 109.276 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.8 t -116.9 104.56 50.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.302 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 40' ' ' ASP . 18.4 Cg_endo -75.01 133.43 16.57 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.546 1.814 . . . . 99.989999999999995 110.999 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -39.99 122.64 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 109.313 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.41 ' O ' ' OD1' ' A' ' 101' ' ' ASP . . . 104.56 -5.68 44.35 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 110.977 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.502 ' HE3' ' CD2' ' A' ' 66' ' ' TYR . 31.2 tpp -97.2 140.54 31.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 0.731 . . . . 99.989999999999995 110.977 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -126.64 154.85 43.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 110.297 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.43 HG12 ' CG2' ' A' ' 99' ' ' VAL . 3.2 mt -114.96 147.85 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 99.989999999999995 109.304 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.84 129.88 33.07 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.549 1.156 . . . . 99.989999999999995 109.248 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.585 HG22 ' CE1' ' A' ' 179' ' ' PHE . 21.1 mt -103.09 125.94 57.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -141.35 164.12 31.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.959 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -143.94 126.94 16.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 109.337 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -136.23 -172.53 3.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 111.02 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' PHE . . . -61.68 -100.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.096 . . . . 99.989999999999995 110.992 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.9 m -65.57 78.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.229 -1.026 . . . . 99.989999999999995 108.229 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' A' ' 53' ' ' TRP . 32.6 p90 -46.09 -42.29 13.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 99.989999999999995 110.982 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.64 ' N ' ' CD1' ' A' ' 52' ' ' PHE . 1.7 m0 -54.9 -43.32 73.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 107.985 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.88 -42.46 45.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.991 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.577 HG11 ' CE2' ' A' ' 59' ' ' PHE . 47.1 t -56.98 -48.02 82.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 0.767 . . . . 99.989999999999995 109.323 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -41.75 84.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 110.305 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.452 ' NH1' ' OE1' ' A' ' 61' ' ' GLN . 44.7 ttt-85 -68.22 -54.72 15.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 110.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -23.11 41.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 109.332 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.582 ' CD1' HG12 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -75.94 -65.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 111.066 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.602 ' CE2' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -57.84 -51.28 70.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 108.024 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.579 ' HG2' ' CZ2' ' A' ' 60' ' ' TRP . 25.9 mt-30 -48.79 -22.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 110.301 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.479 ' CD2' ' HD2' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -73.22 144.06 84.06 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.296 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.479 ' HD2' ' CD2' ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.08 116.02 4.45 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 99.989999999999995 110.981 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.6 -20.99 6.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 99.989999999999995 110.999 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 60' ' ' TRP . 65.1 t -81.73 116.01 25.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.423 0.72 . . . . 99.989999999999995 109.308 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.502 ' CD2' ' HE3' ' A' ' 42' ' ' MET . 1.9 t80 -75.12 -49.85 18.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.398 1.061 . . . . 99.989999999999995 110.996 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.7 m -158.62 164.1 36.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.994 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 28' ' ' HIS . 70.9 p -143.86 157.43 44.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 99.989999999999995 110.379 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -135.07 160.03 39.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.316 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -122.12 116.4 24.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 99.989999999999995 109.361 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -142.46 -163.33 9.63 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.437 1.086 . . . . 99.989999999999995 110.957 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -125.45 157.57 36.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 0.737 . . . . 99.989999999999995 110.961 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.2 t -160.13 160.76 33.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.595 1.184 . . . . 99.989999999999995 110.403 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.33 -11.03 73.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 110.953 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.479 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -88.33 168.02 36.32 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.003 -0.839 . . . . 99.989999999999995 111.003 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -108.98 -23.0 11.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 99.989999999999995 110.994 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.0 m -75.07 123.27 88.79 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 110.422 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 154.73 43.21 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 99.989999999999995 110.981 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.41 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 6.9 m120 48.77 64.81 8.02 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 109.337 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.56 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 18.5 Cg_endo -74.94 141.3 26.65 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.556 1.819 . . . . 99.989999999999995 111.037 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.5 m -110.99 162.82 14.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 99.989999999999995 110.376 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -55.04 -48.48 73.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 99.989999999999995 110.996 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.89 -31.24 66.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.298 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -63.35 -43.03 98.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 110.305 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 56.9 t -68.47 -41.72 83.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.278 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 t -54.8 -24.32 22.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.054 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -39.16 78.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 99.989999999999995 109.983 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.41 10.41 85.37 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 111.036 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -100.03 8.33 44.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 99.989999999999995 109.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.8 p -104.35 -17.46 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.396 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.9 16.82 70.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 111.034 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.56 ' CD2' ' HB3' ' A' ' 80' ' ' PRO . 40.4 m-70 -82.19 155.45 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 99.989999999999995 109.549 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -129.26 153.13 48.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 99.989999999999995 109.28 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.495 ' OE1' ' CG ' ' A' ' 52' ' ' PHE . 5.0 mm-40 -72.45 123.67 23.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 110.322 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . . . -144.07 160.61 40.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 109.276 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.4 m -134.32 147.66 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 99.989999999999995 109.293 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.49 145.41 26.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.582 HG12 ' CD1' ' A' ' 59' ' ' PHE . 3.7 mp -133.32 129.65 56.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 109.335 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 66' ' ' TYR . 26.4 t -125.54 106.68 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.185 . . . . 99.989999999999995 109.296 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.706 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 39.7 p90 -133.62 179.98 5.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 111.002 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 41' ' ' GLY . 7.6 m-20 -113.41 135.19 21.84 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.3 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.51 8.81 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.517 1.799 . . . . 99.989999999999995 110.971 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.3 t -92.12 -16.3 26.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 109.98 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 72.7 t -115.99 -47.0 4.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.425 1.078 . . . . 99.989999999999995 109.292 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.442 ' CD1' ' O ' ' A' ' 106' ' ' SER . 0.2 OUTLIER -127.49 130.94 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 109.33 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.442 ' O ' ' CD1' ' A' ' 105' ' ' ILE . 6.6 p -95.75 157.98 15.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 99.989999999999995 109.923 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.464 ' CB ' ' HG2' ' A' ' 145' ' ' GLN . 45.9 p90 -66.52 -36.21 82.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 110.992 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.456 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.4 tt0 -55.12 -39.94 69.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.251 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -72.13 -40.03 68.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 110.268 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.706 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 31.5 mt -55.85 -43.18 76.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.256 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.547 ' O ' ' CD2' ' A' ' 115' ' ' TRP . 12.4 mt -65.56 -33.61 76.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.302 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.496 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 16.3 tt0 -58.0 -50.91 71.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.456 1.098 . . . . 99.989999999999995 110.317 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.88 -33.48 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 109.267 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 118' ' ' HIS . 5.8 t80 -53.66 -48.71 69.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 99.989999999999995 110.99 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.561 ' CZ2' ' HB2' ' A' ' 152' ' ' SER . 1.2 m0 -66.47 -20.26 66.0 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.007 -1.109 . . . . 99.989999999999995 108.007 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -80.46 -38.08 30.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 110.262 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.468 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 4.9 t-20 -92.71 -9.01 42.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.322 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.598 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 42.6 t-80 -70.84 162.04 29.92 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.591 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.598 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 55.4 m-20 -103.73 136.55 19.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 99.989999999999995 109.244 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 159.81 40.72 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.476 1.777 . . . . 99.989999999999995 111.002 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 109.331 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.361 -0.236 . . . . 99.989999999999995 110.361 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.506 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 19.8 p90 -112.83 128.37 56.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 99.989999999999995 111.001 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -132.12 173.14 11.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 110.293 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.4 m -103.87 122.15 44.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 109.976 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.423 ' HB1' ' CE2' ' A' ' 139' ' ' TYR . . . -156.19 150.1 25.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.301 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 55.9 mt -112.99 130.74 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 99.989999999999995 109.338 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.423 ' CE2' ' HB1' ' A' ' 137' ' ' ALA . 86.8 m-85 -130.19 78.23 74.96 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 111.03 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 166.71 28.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 99.989999999999995 110.947 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 8.2 tp -112.4 -40.15 4.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.288 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.434 ' OG1' ' CG ' ' A' ' 145' ' ' GLN . 68.7 p -84.27 162.27 51.98 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 110.414 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -33.75 4.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.498 1.788 . . . . 99.989999999999995 111.004 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -64.91 -49.78 69.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.251 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.464 ' HG2' ' CB ' ' A' ' 107' ' ' TYR . 86.9 mt-30 -54.84 -46.47 74.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.271 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.31 -48.38 79.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 109.323 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.57 92.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.32 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -67.27 -47.14 71.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.334 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.26 -55.2 36.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.242 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -40.61 95.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 110.276 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -57.47 -37.47 72.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 109.253 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.561 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 10.2 p -74.52 -41.71 60.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.998 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.493 ' C ' ' CD2' ' A' ' 153' ' ' LEU . 3.2 tt -63.15 -50.83 68.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.158 . . . . 99.989999999999995 109.312 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -56.65 -37.34 70.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.362 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 159' ' ' ALA . 0.0 OUTLIER -75.65 -55.16 5.92 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 110.296 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.457 ' CD1' HG22 ' A' ' 169' ' ' ILE . 8.0 t80 -45.7 -46.61 14.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 99.989999999999995 110.991 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' A' ' 160' ' ' MET . 1.3 tt0 -61.48 -42.49 98.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 110.276 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.27 -31.45 67.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 109.243 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 155' ' ' ARG . . . -62.99 -48.81 77.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 109.214 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.507 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 7.6 ptm -68.09 -32.91 73.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 111.033 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.507 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -65.99 -41.08 91.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.31 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.06 -23.04 67.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.313 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.417 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -83.71 -6.18 59.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 109.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 8.0 t0 75.67 34.06 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 99.989999999999995 109.274 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -101.76 121.64 42.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 99.989999999999995 109.363 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.08 15.73 8.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.287 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -91.09 84.61 5.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.307 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.569 ' CE1' ' O ' ' A' ' 169' ' ' ILE . 0.1 OUTLIER -61.6 136.59 58.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.605 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.569 ' O ' ' CE1' ' A' ' 168' ' ' HIS . 6.3 pt -69.15 140.79 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.073 . . . . 99.989999999999995 109.348 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 8.8 t -96.86 36.2 1.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 99.989999999999995 110.402 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.445 ' CG2' HG13 ' A' ' 169' ' ' ILE . 2.1 t -92.65 128.09 38.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 110.322 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -119.1 139.41 51.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 110.294 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 4.9 mt -124.8 127.64 72.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.231 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -149.89 171.21 17.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 109.367 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -43.2 164.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.279 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -84.26 87.56 7.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.276 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' THR . . . . . 0.461 ' HB ' ' HD2' ' A' ' 178' ' ' PRO . 25.2 p -59.14 165.38 3.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 110.393 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.3 Cg_endo -74.96 118.44 5.27 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.482 1.78 . . . . 99.989999999999995 111.018 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.585 ' CE1' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -76.54 145.62 38.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 99.989999999999995 110.959 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . 0.463 ' O ' ' C ' ' A' ' 181' ' ' TYR . 17.2 m-85 -118.68 91.29 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 111.071 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . 0.47 ' HB3' ' CG2' ' A' ' 24' ' ' VAL . 14.0 m-85 -32.85 139.67 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 110.99 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -100.01 175.53 5.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 99.989999999999995 109.313 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -47.31 137.92 7.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 110.277 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.19 -23.43 62.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 99.989999999999995 109.261 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.3 -41.8 98.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.269 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -78.68 -28.15 45.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.64 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . 0.44 ' NE2' ' NE2' ' A' ' 188' ' ' GLN . 12.7 tp60 -55.54 111.93 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.567 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 3.5 mp0 48.03 55.81 8.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 110.348 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.454 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 1.9 t80 -85.65 -45.91 11.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 99.989999999999995 110.96 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 12.8 tp -63.04 -41.27 99.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.265 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.485 ' CD2' ' N ' ' A' ' 191' ' ' HIS . 0.7 OUTLIER -57.71 -28.86 64.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.691 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.41 -44.3 62.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 109.312 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -140.08 115.56 7.87 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.181 . . . . 99.989999999999995 109.254 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.21 0 O-C-N 124.482 1.78 . . . . 99.989999999999995 111.001 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 110.968 -0.435 . . . . 99.989999999999995 110.968 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -82.33 145.81 52.87 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 111.024 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 125.88 9.52 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 99.989999999999995 110.952 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 t -123.75 137.24 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 109.276 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.13 159.9 27.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 109.334 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 m -82.89 -45.2 14.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 110.377 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.47 145.72 35.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 99.989999999999995 109.377 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.449 ' CD2' ' H ' ' A' ' 68' ' ' THR . 36.8 t-80 -54.62 164.76 0.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.643 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.434 ' HB2' ' CE1' ' A' ' 191' ' ' HIS . . . -84.92 -33.13 22.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 109.276 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.442 ' HB ' ' CE1' ' A' ' 28' ' ' HIS . 75.3 t -95.12 -63.15 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.162 . . . . 99.989999999999995 109.263 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -55.84 -39.66 71.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 99.989999999999995 109.347 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.02 22.85 78.79 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.951 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.528 ' CG ' ' N ' ' A' ' 34' ' ' SER . 23.5 t60 -129.48 166.99 18.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 0.746 . . . . 99.989999999999995 109.619 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.528 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -41.88 141.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.991 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mtp -98.08 -64.95 0.99 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.158 . . . . 99.989999999999995 111.027 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.45 ' CG2' ' N ' ' A' ' 37' ' ' ASN . 15.2 t -55.25 -51.57 66.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 99.989999999999995 110.364 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.45 ' N ' ' CG2' ' A' ' 36' ' ' THR . 0.4 OUTLIER -55.02 131.84 45.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.352 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.4 t -125.86 133.01 24.5 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.306 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.405 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.1 Cg_endo -75.01 143.92 29.61 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 99.989999999999995 110.975 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.35 121.96 12.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.309 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.18 4.65 29.06 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.562 1.164 . . . . 99.989999999999995 111.022 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.442 ' HE2' ' CD1' ' A' ' 66' ' ' TYR . 0.5 OUTLIER -109.38 165.66 11.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 99.989999999999995 111.034 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.7 158.51 43.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.319 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mp -109.86 151.37 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 109.337 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -140.52 131.26 25.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.228 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.709 ' CG2' ' CE2' ' A' ' 179' ' ' PHE . 97.3 mt -113.58 138.77 42.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.328 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.47 ' CD1' ' O ' ' A' ' 46' ' ' ILE . 49.0 m-85 -150.97 165.07 34.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 99.989999999999995 110.972 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -142.73 127.46 18.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.29 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -135.45 -174.53 3.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 111.035 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.404 ' O ' ' OE1' ' A' ' 94' ' ' GLU . . . -64.9 -90.12 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.14 . . . . 99.989999999999995 110.992 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 56.4 m -70.8 76.59 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.287 -1.005 . . . . 99.989999999999995 108.287 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.49 ' CG ' ' N ' ' A' ' 53' ' ' TRP . 49.7 p90 -51.53 -44.39 62.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 111.003 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.804 ' CH2' ' CD2' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -55.66 -44.82 77.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 107.975 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.47 ' O ' ' CG ' ' A' ' 57' ' ' ARG . . . -74.67 -27.82 64.38 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.993 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.42 HG11 ' CE2' ' A' ' 59' ' ' PHE . 62.1 t -75.81 -54.48 13.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.564 0.802 . . . . 99.989999999999995 109.274 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.537 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 15.7 pt-20 -48.38 -37.76 17.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 110.246 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.537 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -77.37 -26.56 52.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 110.342 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.416 ' HB3' ' O ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER -76.7 -32.3 57.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 109.388 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.522 ' CG ' HG12 ' A' ' 98' ' ' ILE . 2.9 m-85 -66.11 -64.48 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 111.078 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.526 ' CD2' ' HA ' ' A' ' 57' ' ' ARG . 0.7 OUTLIER -56.88 -21.17 27.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.143 . . . . 99.989999999999995 108.052 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.51 -21.09 62.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 110.331 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.62 137.13 83.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.274 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 109.88 3.01 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.428 1.751 . . . . 99.989999999999995 111.047 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.27 -15.02 5.34 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.454 1.097 . . . . 99.989999999999995 110.989 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.41 HG11 ' CG2' ' A' ' 68' ' ' THR . 47.7 t -78.86 124.54 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 0.8 . . . . 99.989999999999995 109.303 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.442 ' CD1' ' HE2' ' A' ' 42' ' ' MET . 1.3 t80 -74.99 -54.66 6.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 99.989999999999995 110.935 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.2 m -161.97 152.72 17.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 110.009 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.449 ' H ' ' CD2' ' A' ' 28' ' ' HIS . 24.6 p -136.6 156.07 49.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.351 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -147.05 156.18 42.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 109.329 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 182' ' ' ALA . . . -99.26 138.46 36.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.267 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -147.14 -177.88 22.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.416 1.072 . . . . 99.989999999999995 111.004 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -123.75 153.91 40.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 0.717 . . . . 99.989999999999995 111.01 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.604 ' CG2' ' CZ ' ' A' ' 179' ' ' PHE . 3.8 t -160.02 160.17 32.94 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 110.385 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.85 -22.99 38.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.587 1.179 . . . . 99.989999999999995 111.005 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.565 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -90.55 177.9 42.46 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.897 -0.881 . . . . 99.989999999999995 110.897 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -117.05 -18.47 10.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 99.989999999999995 111.028 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.413 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 20.1 m -73.72 123.08 89.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 99.989999999999995 110.34 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -74.97 155.44 43.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 99.989999999999995 110.993 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.555 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 17.9 m-80 39.33 56.91 6.22 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 109.29 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.627 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.5 Cg_endo -74.97 140.31 25.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 99.989999999999995 111.022 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 85' ' ' VAL . 5.1 m -93.36 151.38 19.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 99.989999999999995 110.357 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -50.88 -50.9 56.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 110.993 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -44.67 82.72 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 110.299 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' ' 87' ' ' SER . 35.0 mt-10 -73.06 -25.41 60.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 110.334 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 81' ' ' THR . 42.4 t -72.9 -48.4 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.274 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.1 t -60.67 -25.78 66.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.981 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 84' ' ' GLU . 40.7 t -54.51 -40.46 68.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.996 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.431 ' CA ' ' NE2' ' A' ' 133' ' ' GLN . . . 80.41 16.94 74.86 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.401 1.063 . . . . 99.989999999999995 110.97 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -98.59 -3.01 37.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 99.989999999999995 109.275 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.49 -29.8 10.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 110.384 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.82 -14.43 65.31 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 110.975 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.627 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 40.6 m-70 -59.17 148.22 32.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 0.75 . . . . 99.989999999999995 109.579 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -124.88 158.13 34.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.267 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.404 ' OE1' ' O ' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -70.42 123.09 20.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 110.294 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -146.07 158.6 43.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.305 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 17.0 m -138.49 151.58 24.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.271 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.417 ' CZ ' ' OH ' ' A' ' 181' ' ' TYR . 6.6 ptm180 -109.74 145.43 36.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.324 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.522 HG12 ' CG ' ' A' ' 59' ' ' PHE . 4.4 mp -132.17 134.06 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 66' ' ' TYR . 58.2 t -121.33 106.74 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.341 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.703 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 27.4 p90 -129.03 177.28 7.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 111.01 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.84 134.9 20.51 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.318 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 1.56 7.64 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 99.989999999999995 110.968 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.45 -17.72 17.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.979 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.0 t -110.38 -41.96 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.26 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.57 HG22 ' CD1' ' A' ' 100' ' ' TYR . 1.0 OUTLIER -133.33 139.92 48.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 109.29 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.4 p -96.84 159.25 15.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 110.031 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 20.3 p90 -66.34 -33.29 75.41 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 110.996 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.563 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -60.36 -36.11 77.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 110.247 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -64.84 -44.29 90.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 110.283 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.703 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 23.0 mt -61.39 -45.26 95.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.263 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.547 ' O ' ' CD2' ' A' ' 115' ' ' TRP . 3.3 mt -71.88 -33.09 68.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.33 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.558 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 44.2 tt0 -59.01 -49.84 76.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.279 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.76 -34.58 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 109.312 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 118' ' ' HIS . 13.3 t80 -53.97 -47.46 71.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 111.005 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.643 ' CZ2' ' CB ' ' A' ' 152' ' ' SER . 1.0 OUTLIER -66.61 -18.46 65.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 108.013 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -87.95 -28.73 21.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.325 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -105.27 5.38 31.98 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.312 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 114' ' ' PHE . 24.4 t60 -84.74 152.98 23.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.54 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -105.11 146.73 33.26 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.305 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -172.09 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.456 1.766 . . . . 99.989999999999995 110.97 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 109.301 -179.955 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.431 ' NE2' ' CA ' ' A' ' 88' ' ' GLY . 28.1 mp0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.225 -0.287 . . . . 99.989999999999995 110.225 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -126.32 56.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 110.981 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.95 108.82 20.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 110.306 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.6 m -59.99 130.81 48.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.999 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -148.45 161.33 41.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.298 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 36.8 mt -124.65 127.69 72.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.326 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -130.57 81.82 66.69 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 110.923 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 163.64 34.93 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.558 1.82 . . . . 99.989999999999995 110.99 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.405 ' CD2' ' HB2' ' A' ' 176' ' ' ALA . 0.2 OUTLIER -97.28 -54.27 3.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 99.989999999999995 109.321 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 10.4 p -79.56 163.0 61.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 110.421 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -36.34 2.67 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.508 1.794 . . . . 99.989999999999995 110.963 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.32 -37.7 75.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 110.307 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -72.4 -38.5 68.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 110.292 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.88 -52.57 59.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.308 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.79 -43.61 90.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.347 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -66.31 -43.25 86.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 109.283 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.04 -58.86 6.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.238 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -61.68 -32.47 72.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 110.333 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.85 81.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 99.989999999999995 109.301 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.643 ' CB ' ' CZ2' ' A' ' 115' ' ' TRP . 51.9 p -75.01 -34.09 61.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 99.989999999999995 110.002 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.434 ' CD1' HG21 ' A' ' 171' ' ' THR . 5.1 tt -64.49 -50.3 68.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 109.301 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.03 -46.93 86.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 110.29 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -55.11 39.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.343 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -53.35 -45.15 69.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 111.021 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -61.24 -40.75 95.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 110.341 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.48 -46.22 67.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 109.33 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -56.6 -41.74 77.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 109.26 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.99 -43.0 100.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 111.025 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -33.41 75.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 99.989999999999995 109.38 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.18 -21.91 66.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 109.334 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -78.15 -5.34 51.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.279 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 3.3 t0 78.71 21.77 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.354 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -91.2 116.16 28.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.26 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.05 54.96 3.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.309 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -146.9 87.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.317 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -72.44 150.36 43.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.617 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.27 142.29 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.297 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 86.6 m -87.53 50.46 2.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 110.391 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' THR . . . . . 0.434 HG21 ' CD1' ' A' ' 153' ' ' LEU . 8.0 t -95.3 124.33 39.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.448 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.18 153.65 38.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 110.331 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 20.0 mt -119.56 129.3 75.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.278 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -141.08 167.12 22.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 99.989999999999995 109.313 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -52.18 163.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 109.307 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . 0.405 ' HB2' ' CD2' ' A' ' 141' ' ' LEU . . . -89.61 67.75 7.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.284 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.98 163.29 8.01 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 99.989999999999995 110.353 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 108.79 2.8 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.504 1.791 . . . . 99.989999999999995 111.004 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.709 ' CE2' ' CG2' ' A' ' 46' ' ' ILE . 5.9 m-30 -86.48 146.94 26.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 111.03 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . 0.412 ' O ' ' O ' ' A' ' 181' ' ' TYR . 41.5 m-85 -88.73 114.73 25.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 111.006 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . 0.417 ' OH ' ' CZ ' ' A' ' 97' ' ' ARG . 30.8 m-85 -42.71 167.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 111.061 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.651 ' CB ' ' CE1' ' A' ' 186' ' ' HIS . . . -112.95 164.62 13.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 99.989999999999995 109.353 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.57 128.43 35.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 110.229 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -51.9 -21.02 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.33 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.86 -39.71 65.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 109.325 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . 0.651 ' CE1' ' CB ' ' A' ' 182' ' ' ALA . 11.3 p80 -113.27 -22.87 10.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 109.63 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . 0.476 ' C ' ' CG ' ' A' ' 188' ' ' GLN . 0.0 OUTLIER -64.48 130.52 44.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 99.989999999999995 110.226 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.476 ' CG ' ' C ' ' A' ' 187' ' ' GLN . 1.1 pt20 43.71 40.16 2.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.314 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.804 ' CD2' ' CH2' ' A' ' 53' ' ' TRP . 57.2 t80 -83.35 -24.11 32.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 111.019 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.01 -37.47 74.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.268 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -56.38 -29.94 62.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 109.587 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.13 -41.15 64.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 99.989999999999995 109.319 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.601 ' OD1' ' CE2' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -137.97 121.52 11.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.322 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 99.989999999999995 111.05 179.94 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.027 -0.413 . . . . 99.989999999999995 111.027 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.18 152.86 84.26 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 111.026 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 148.32 34.97 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 99.989999999999995 110.974 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.464 HG21 ' CD2' ' A' ' 181' ' ' TYR . 21.8 t -134.22 154.18 37.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.257 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.62 163.74 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 109.364 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.5 m -88.94 -31.18 18.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 110.379 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 pp -149.92 145.62 26.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 109.269 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.444 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 12.3 t-80 -40.76 149.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.583 1.177 . . . . 99.989999999999995 109.628 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.78 -33.55 22.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.31 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.444 ' HB ' ' CE1' ' A' ' 28' ' ' HIS . 48.9 t -83.68 -69.8 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.331 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -51.45 -39.81 58.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 109.344 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.11 33.74 39.68 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 99.989999999999995 111.003 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -148.61 165.44 31.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.756 . . . . 99.989999999999995 109.642 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.1 m -55.76 132.58 49.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.087 . . . . 99.989999999999995 109.943 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.24 -4.52 35.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 111.035 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.5 p -92.2 -42.97 9.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 110.402 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -56.26 131.19 47.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.371 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.9 t -118.81 99.49 51.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.278 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 137.23 21.54 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 99.989999999999995 111.034 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.74 123.98 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.16 0.01 44.33 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 110.968 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.479 ' CG ' HG11 ' A' ' 99' ' ' VAL . 40.4 tpp -107.33 143.02 36.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 99.989999999999995 110.988 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -132.26 163.2 29.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 110.263 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mt -114.17 151.47 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 109.285 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -142.74 131.59 22.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.352 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.3 mt -109.58 127.85 66.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 109.278 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -141.74 164.72 29.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 110.969 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -155.39 134.11 11.97 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.312 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.454 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -150.38 -174.74 4.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 111.027 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -38.11 -84.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 110.979 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.78 178.69 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.277 -1.009 . . . . 99.989999999999995 108.277 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -150.47 -48.81 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 99.989999999999995 111.048 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 1.8 m0 -71.16 -46.6 61.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 99.989999999999995 108.018 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.15 -36.62 92.1 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.997 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.518 HG12 ' CD2' ' A' ' 59' ' ' PHE . 99.3 t -60.67 -54.6 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 99.989999999999995 109.264 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.495 ' O ' ' CE3' ' A' ' 60' ' ' TRP . 29.5 tt0 -49.64 -36.53 24.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.082 . . . . 99.989999999999995 110.282 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.565 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 5.4 ttp180 -78.54 -46.37 19.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.384 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -26.77 68.32 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 109.253 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.566 ' CZ ' HD12 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -70.71 -66.41 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 110.983 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.565 ' CE3' ' HA ' ' A' ' 57' ' ' ARG . 0.7 OUTLIER -56.59 -20.07 19.16 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 107.997 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.37 -25.3 62.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 99.989999999999995 110.342 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 6.1 mt -72.21 141.72 83.92 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 99.989999999999995 109.27 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.1 Cg_endo -75.01 112.14 3.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.448 1.762 . . . . 99.989999999999995 110.977 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.75 -13.97 5.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 111.024 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.2 t -83.85 118.02 30.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.435 0.727 . . . . 99.989999999999995 109.249 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 99' ' ' VAL . 4.1 t80 -75.04 -42.21 57.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 99.989999999999995 110.959 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.7 p -175.83 157.21 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 99.989999999999995 110.013 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.437 ' H ' ' CD2' ' A' ' 28' ' ' HIS . 20.3 p -138.75 169.72 17.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 99.989999999999995 110.42 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -152.97 150.4 29.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 99.989999999999995 109.352 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 182' ' ' ALA . . . -95.84 138.36 33.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 109.269 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.465 ' HA2' ' N ' ' A' ' 182' ' ' ALA . . . -163.87 -173.29 32.37 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 110.985 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.608 ' CE2' ' HA ' ' A' ' 182' ' ' ALA . 3.0 m-85 -123.43 163.47 20.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 99.989999999999995 110.996 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.7 t -167.76 163.23 14.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 110.391 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.33 -20.26 48.98 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 111.013 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.516 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -84.16 178.78 51.91 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.95 -0.86 . . . . 99.989999999999995 110.95 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -115.08 -17.89 11.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 0.735 . . . . 99.989999999999995 110.948 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 87.7 m -74.33 118.69 71.84 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 99.989999999999995 110.461 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -75.03 144.25 29.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 99.989999999999995 110.999 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.446 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 26.8 m-20 39.65 62.48 5.34 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.297 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.567 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.95 175.29 11.42 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 99.989999999999995 110.994 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 90.0 m -116.83 154.12 31.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 110.34 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -55.55 -43.46 75.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.99 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -43.5 64.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 110.271 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -60.62 -38.13 83.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 110.269 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 52.4 t -68.08 -37.93 78.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 109.254 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.1 t -53.37 -36.88 61.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.001 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.52 -39.11 72.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.017 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.05 13.9 68.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.565 1.166 . . . . 99.989999999999995 111.012 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -85.65 -11.63 53.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 0.739 . . . . 99.989999999999995 109.323 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.5 p -92.6 -20.54 20.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 110.4 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.27 9.76 61.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 99.989999999999995 110.952 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.567 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 18.9 m-70 -68.95 147.0 52.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 99.989999999999995 109.642 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -115.95 150.58 36.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 109.312 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -70.68 109.75 5.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 110.272 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 71' ' ' GLY . . . -131.08 160.94 33.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 109.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.4 m -141.7 139.35 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 99.989999999999995 109.335 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -89.91 129.14 36.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 99.989999999999995 110.273 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.566 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 3.9 mp -119.25 122.88 70.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 109.39 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.479 HG11 ' CG ' ' A' ' 42' ' ' MET . 95.5 t -110.7 102.45 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 99.989999999999995 109.256 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.662 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 17.7 p90 -130.26 172.23 12.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 111.025 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.56 135.59 19.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.167 . . . . 99.989999999999995 109.292 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.64 8.65 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.543 1.812 . . . . 99.989999999999995 110.998 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.02 -24.9 17.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 99.989999999999995 110.017 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.7 t -100.67 -50.36 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.27 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.451 ' CG2' ' CD1' ' A' ' 100' ' ' TYR . 19.1 tt -117.99 156.27 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.34 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 p -115.51 147.5 40.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.067 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 9.8 p90 -56.72 -25.62 54.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 110.965 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.479 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.5 OUTLIER -66.31 -43.16 86.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.357 1.036 . . . . 99.989999999999995 110.258 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -64.44 -45.35 87.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 110.315 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.662 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 55.4 mt -59.06 -51.62 69.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 99.989999999999995 109.322 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.449 ' CD2' HD11 ' A' ' 138' ' ' ILE . 3.3 mt -59.03 -41.86 88.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.265 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -61.59 -52.6 63.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 99.989999999999995 110.301 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 15.7 t -62.75 -41.48 92.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.272 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 114' ' ' PHE . 2.0 t80 -62.85 -41.66 99.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 111.033 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.557 ' HB3' ' CE2' ' A' ' 156' ' ' PHE . 38.7 m95 -71.83 -20.32 61.85 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.99 -1.115 . . . . 99.989999999999995 107.99 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.83 -30.95 22.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.308 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.454 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 9.7 t-20 -95.75 -1.32 50.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.262 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.436 ' CG ' ' N ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -70.44 171.68 9.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.576 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.436 ' N ' ' CG ' ' A' ' 118' ' ' HIS . 0.3 OUTLIER -108.9 140.9 22.32 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.425 1.078 . . . . 99.989999999999995 109.289 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 158.8 41.88 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.523 1.802 . . . . 99.989999999999995 110.993 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.389 179.964 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.365 -0.235 . . . . 99.989999999999995 110.365 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.47 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 27.8 p90 -108.83 126.91 53.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 111.01 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -132.81 172.99 11.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 99.989999999999995 110.295 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 67.5 p -102.86 95.81 6.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.045 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -132.17 146.15 51.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 99.989999999999995 109.287 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.449 HD11 ' CD2' ' A' ' 111' ' ' LEU . 69.5 mt -110.78 133.41 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 109.34 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -128.1 76.78 77.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.942 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 176' ' ' ALA . 18.0 Cg_endo -75.01 164.6 33.01 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 99.989999999999995 110.973 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.9 -52.51 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.294 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.3 p -77.41 162.17 69.84 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.417 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -40.62 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 99.989999999999995 110.984 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.88 -32.64 72.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 99.989999999999995 110.272 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 149' ' ' ALA . 39.6 tt0 -72.11 -39.38 68.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 110.315 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -51.19 60.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.327 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.08 -38.34 73.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 109.339 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.421 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -76.25 -35.52 58.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 109.278 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 145' ' ' GLN . . . -62.7 -59.66 4.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 109.245 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.407 ' HA ' ' CD1' ' A' ' 173' ' ' ILE . 4.5 ppt_? -59.08 -28.62 66.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 110.331 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -67.7 -46.52 72.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.25 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 59.8 p -61.14 -43.74 98.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 99.989999999999995 109.952 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.413 HD11 ' CD1' ' A' ' 173' ' ' ILE . 5.7 tt -56.35 -51.21 69.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 109.301 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -53.41 -47.89 69.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 110.28 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.04 -49.97 75.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 110.318 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.557 ' CE2' ' HB3' ' A' ' 115' ' ' TRP . 0.3 OUTLIER -63.44 -40.44 97.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 111.005 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -62.08 -47.69 83.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 110.295 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.43 -46.85 65.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 109.261 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -56.31 -44.6 80.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.408 1.067 . . . . 99.989999999999995 109.309 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 16.1 ttp -63.3 -43.99 96.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.98 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -31.41 72.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.295 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -68.19 -17.62 64.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.303 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.455 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -83.31 -4.63 58.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.276 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.9 t0 78.51 28.5 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 109.279 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -104.11 115.1 29.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 99.989999999999995 109.278 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -84.52 6.49 23.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.57 1.169 . . . . 99.989999999999995 109.342 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -84.9 80.8 9.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 99.989999999999995 110.283 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -62.79 134.62 56.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.552 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.63 133.98 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 109.269 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 36.2 p -86.18 45.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 99.989999999999995 110.454 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 34.9 m -91.62 126.12 36.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 110.439 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.0 138.22 54.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.42 1.075 . . . . 99.989999999999995 110.301 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . 0.413 ' CD1' HD11 ' A' ' 153' ' ' LEU . 42.5 mt -108.27 123.75 64.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 109.211 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -137.98 156.28 48.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 109.29 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -42.48 157.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 109.298 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 140' ' ' PRO . . . -69.56 85.58 0.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 109.247 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 2.0 p -58.65 163.53 5.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.408 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 97.9 1.12 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.568 1.825 . . . . 99.989999999999995 110.985 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.4 OUTLIER -77.19 133.36 38.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 99.989999999999995 110.997 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . 0.407 ' O ' ' O ' ' A' ' 181' ' ' TYR . 5.5 m-85 -120.39 130.74 54.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 110.973 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . 0.464 ' CD2' HG21 ' A' ' 24' ' ' VAL . 25.0 m-85 -37.64 157.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 110.965 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.608 ' HA ' ' CE2' ' A' ' 72' ' ' TYR . . . -96.67 -62.99 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 109.306 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.35 159.15 28.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 110.265 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.98 -23.26 65.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.332 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.19 -34.35 59.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -70.3 -39.64 74.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.639 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.53 99.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.173 . . . . 99.989999999999995 110.287 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 56.03 60.97 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 99.989999999999995 110.337 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -82.36 -29.51 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 110.928 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.18 -29.16 61.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.311 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.445 ' CD2' ' N ' ' A' ' 192' ' ' LYS . 0.0 OUTLIER -64.91 -41.62 95.41 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 109.571 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . 0.445 ' N ' ' CD2' ' A' ' 191' ' ' HIS . 1.9 ttmt -63.41 -40.93 98.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 109.258 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -136.0 103.71 9.82 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 109.321 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.418 1.746 . . . . 99.989999999999995 111.043 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 110.962 -0.438 . . . . 99.989999999999995 110.962 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 8.1 mtm -74.24 153.31 88.26 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 111.001 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 159.07 41.48 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.54 1.81 . . . . 99.989999999999995 111.019 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.4 t -138.88 156.72 28.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 109.327 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.09 164.77 26.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.075 . . . . 99.989999999999995 109.254 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 35' ' ' MET . 75.9 m -90.69 -45.36 8.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 110.366 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.99 156.04 18.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 33' ' ' HIS . 42.4 t-80 -71.7 166.34 22.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 99.989999999999995 109.596 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.723 ' HB2' ' CE1' ' A' ' 191' ' ' HIS . . . -86.21 -37.7 18.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.319 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.4 t -92.88 -65.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 109.333 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -54.07 -34.5 60.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.591 1.182 . . . . 99.989999999999995 109.278 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.6 24.7 71.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 111.022 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -124.73 169.93 11.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 99.989999999999995 109.561 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -39.73 135.73 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 110.002 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -94.65 -51.17 4.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 111.056 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.467 ' OG1' ' OH ' ' A' ' 181' ' ' TYR . 0.7 OUTLIER -88.71 -47.26 8.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 99.989999999999995 110.386 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -55.12 127.41 28.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 109.25 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.0 t -116.14 123.49 30.83 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.319 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.18 26.34 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 99.989999999999995 110.999 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -52.98 126.98 22.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.316 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.1 1.62 31.62 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 111.045 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.497 ' HE1' ' CB ' ' A' ' 101' ' ' ASP . 3.3 mtp -115.21 164.67 13.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 99.989999999999995 111.003 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -139.8 159.2 42.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 110.226 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -109.54 148.58 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.27 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.79 131.27 30.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.361 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.3 mt -106.04 130.58 57.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.296 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -144.57 156.22 44.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 99.989999999999995 110.991 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -136.95 133.85 36.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.275 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.471 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 0.5 OUTLIER -138.37 172.19 13.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 110.941 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -49.82 -64.21 3.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 111.005 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.25 179.56 5.04 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.3 -1.0 . . . . 99.989999999999995 108.3 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.5 p90 -144.09 -45.08 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 111.046 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.635 ' CH2' ' CE1' ' A' ' 189' ' ' TYR . 14.6 m0 -72.75 -36.89 67.8 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.944 -1.132 . . . . 99.989999999999995 107.944 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.53 -44.25 13.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 111.061 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.4 t -57.3 -59.21 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 0.782 . . . . 99.989999999999995 109.352 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 14.9 pt-20 -50.0 -42.5 49.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 110.331 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.529 ' HA ' ' CD2' ' A' ' 60' ' ' TRP . 2.2 tmt_? -70.17 -30.31 67.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.329 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -25.83 55.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 99.989999999999995 109.369 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.518 ' CD1' HG12 ' A' ' 98' ' ' ILE . 1.0 OUTLIER -72.5 -59.97 2.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.966 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.529 ' CD2' ' HA ' ' A' ' 57' ' ' ARG . 0.7 OUTLIER -62.24 -15.81 49.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 107.969 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.402 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 8.8 mm-40 -83.07 -7.98 59.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 110.288 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.8 mt -87.57 137.38 32.21 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 109.268 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 108.19 2.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.444 1.76 . . . . 99.989999999999995 111.012 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.73 -9.86 4.91 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 111.036 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.454 HG11 ' CG2' ' A' ' 68' ' ' THR . 20.1 t -86.83 121.9 38.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.529 0.782 . . . . 99.989999999999995 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.475 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 5.2 t80 -77.95 -39.15 43.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.174 . . . . 99.989999999999995 111.065 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -169.71 154.97 5.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.968 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.454 ' CG2' HG11 ' A' ' 65' ' ' VAL . 69.3 p -132.22 171.15 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.404 1.065 . . . . 99.989999999999995 110.362 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.541 ' CB ' ' OE1' ' A' ' 187' ' ' GLN . . . -165.22 148.05 8.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 99.989999999999995 109.289 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -101.53 139.64 36.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.355 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.442 ' HA2' ' HB1' ' A' ' 182' ' ' ALA . . . -160.84 -162.38 12.52 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 111.012 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -150.01 155.56 40.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 0.727 . . . . 99.989999999999995 111.055 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 74' ' ' GLY . 1.0 OUTLIER -171.67 174.0 4.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.373 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.45 ' N ' ' OG1' ' A' ' 73' ' ' THR . . . 98.09 -13.93 62.98 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 111.025 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.545 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -85.18 -173.2 49.68 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.949 -0.86 . . . . 99.989999999999995 110.949 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -112.82 -21.15 11.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 0.733 . . . . 99.989999999999995 110.983 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.446 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 39.2 m -74.87 117.57 63.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 110.357 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 132.06 14.96 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.521 1.8 . . . . 99.989999999999995 111.001 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.431 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 5.9 m-80 54.98 63.74 6.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 109.241 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.565 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -75.03 172.68 15.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.55 1.816 . . . . 99.989999999999995 111.011 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.2 p -119.88 154.01 35.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 99.989999999999995 110.388 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -56.26 -34.31 66.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 110.964 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -69.05 -48.64 62.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.291 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -67.52 -41.88 83.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 110.305 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 52.8 t -56.09 -38.04 51.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.228 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.401 ' HA ' ' OE1' ' A' ' 133' ' ' GLN . 18.0 t -70.59 -32.05 69.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.001 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 m -66.42 -38.68 88.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.982 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.69 12.22 57.11 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 111.046 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -84.02 -21.59 31.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 99.989999999999995 109.364 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.4 p -81.56 -18.27 45.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 110.412 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.94 17.36 54.82 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 111.037 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.565 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 38.2 m-70 -86.59 155.72 20.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 0.812 . . . . 99.989999999999995 109.625 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -113.07 156.98 22.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 109.334 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -82.1 109.71 16.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 110.335 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -121.06 167.99 12.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.336 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 76.1 t -140.01 134.69 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.326 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -89.95 118.13 29.28 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 110.332 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.518 HG12 ' CD1' ' A' ' 59' ' ' PHE . 4.6 mp -113.9 129.61 69.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.43 1.081 . . . . 99.989999999999995 109.271 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.0 t -119.38 100.29 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.219 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.494 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 23.7 p90 -126.75 177.39 6.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 111.007 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.497 ' CB ' ' HE1' ' A' ' 42' ' ' MET . 0.0 OUTLIER -112.78 135.75 21.6 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.298 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -0.49 10.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 99.989999999999995 110.998 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.3 m -93.15 -23.86 18.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.986 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 76.9 t -99.27 -48.74 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 109.269 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.8 tt -122.41 162.05 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.392 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.6 p -117.71 153.67 32.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 99.989999999999995 110.007 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.506 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 15.9 p90 -58.22 -28.52 64.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 99.989999999999995 111.012 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.506 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -67.85 -38.7 83.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.578 1.174 . . . . 99.989999999999995 110.271 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -65.04 -44.89 87.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 99.989999999999995 110.264 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.494 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 36.3 mt -58.67 -51.89 68.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 109.312 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.41 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 9.3 mt -60.3 -47.58 85.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.274 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -53.32 -53.51 49.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 110.362 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.93 -44.53 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.276 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -55.86 -52.56 63.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 110.979 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.546 ' CZ2' HD11 ' A' ' 138' ' ' ILE . 84.5 m95 -63.07 -16.33 59.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 107.985 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -86.08 -35.99 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 110.303 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.471 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 0.8 OUTLIER -92.94 -0.13 57.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 99.989999999999995 109.272 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.538 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -73.53 174.88 7.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.619 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.538 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 8.4 m-20 -117.4 144.48 34.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 109.304 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 159.85 40.86 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.514 1.797 . . . . 99.989999999999995 110.938 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 109.258 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.401 ' OE1' ' HA ' ' A' ' 86' ' ' SER . 14.8 pt20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.333 -0.247 . . . . 99.989999999999995 110.333 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 23.8 p90 -117.75 133.84 55.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 111.059 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.1 ptp85 -146.2 174.67 11.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 110.362 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 12.4 m -96.24 117.36 30.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 110.067 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.552 ' HB3' ' CE2' ' A' ' 139' ' ' TYR . . . -151.53 158.99 44.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 109.315 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.546 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 77.3 mt -118.59 133.17 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.313 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.552 ' CE2' ' HB3' ' A' ' 137' ' ' ALA . 83.3 m-85 -130.1 75.17 79.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 99.989999999999995 111.009 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.542 ' O ' ' CB ' ' A' ' 176' ' ' ALA . 17.9 Cg_endo -75.03 167.31 27.31 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.479 1.778 . . . . 99.989999999999995 110.939 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.09 -52.77 2.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 99.989999999999995 109.271 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 58.8 p -71.64 159.0 86.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 110.387 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.44 2.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.421 1.748 . . . . 99.989999999999995 110.936 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -38.55 91.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.255 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -64.78 -42.13 95.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 99.989999999999995 110.313 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -41.87 98.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.575 1.172 . . . . 99.989999999999995 109.318 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.487 ' O ' ' CB ' ' A' ' 151' ' ' ALA . . . -71.26 -32.3 68.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.285 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -74.86 -37.69 62.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.254 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -65.82 -58.77 4.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.338 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -60.3 -28.89 68.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 110.28 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 147' ' ' ALA . . . -69.62 -35.64 75.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.272 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 78.1 p -74.04 -49.95 21.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 110.052 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.485 ' C ' ' CD2' ' A' ' 153' ' ' LEU . 0.4 OUTLIER -59.14 -44.47 92.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 99.989999999999995 109.289 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -52.98 -38.64 62.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.386 1.054 . . . . 99.989999999999995 110.345 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -83.85 -35.15 24.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 99.989999999999995 110.309 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.429 ' CE1' ' HB3' ' A' ' 115' ' ' TRP . 2.2 t80 -61.35 -47.17 87.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 110.969 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 160' ' ' MET . 1.8 pt20 -63.16 -31.73 72.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 110.357 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.39 -33.08 69.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.338 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.45 -49.18 78.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.307 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.485 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 5.6 ptm -68.32 -32.77 73.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.975 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.485 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -66.04 -43.86 86.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 99.989999999999995 109.378 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.52 -23.3 66.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 109.336 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -85.61 -3.83 58.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 109.282 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.8 OUTLIER 77.76 31.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.366 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -91.89 110.68 22.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 109.281 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -87.55 12.46 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.31 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -106.27 89.68 3.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 110.285 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.462 ' HA ' ' CE ' ' A' ' 160' ' ' MET . 9.0 p-80 -73.74 145.75 44.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 99.989999999999995 109.606 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.11 141.65 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 109.337 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 40.3 p -89.41 41.17 1.02 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 110.371 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 5.9 t -93.09 133.41 36.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 110.402 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.64 133.2 54.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 110.296 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 12.2 mt -105.18 121.31 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 109.336 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -136.21 166.17 24.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 99.989999999999995 109.348 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -49.75 159.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 109.275 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 140' ' ' PRO . . . -74.03 82.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 109.331 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 2.0 p -59.4 163.65 6.21 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 99.989999999999995 110.367 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 115.23 4.22 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.406 1.74 . . . . 99.989999999999995 111.029 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.3 OUTLIER -78.51 140.46 38.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 111.028 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -119.57 109.61 15.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.405 1.065 . . . . 99.989999999999995 110.967 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . 0.467 ' OH ' ' OG1' ' A' ' 36' ' ' THR . 62.7 m-85 -41.06 155.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 110.989 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.442 ' HB1' ' HA2' ' A' ' 71' ' ' GLY . . . -109.83 173.11 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 109.31 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 2.0 tp10 -38.66 131.56 1.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 110.235 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -53.53 -22.49 8.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.332 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -44.94 34.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.28 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . 0.481 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 39.2 m-70 -65.55 -45.14 84.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.634 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . 0.59 ' O ' ' HG2' ' A' ' 188' ' ' GLN . 7.5 mt-30 -53.58 131.9 39.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 110.334 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' A' ' 187' ' ' GLN . 0.0 OUTLIER 39.23 50.22 1.88 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.482 1.113 . . . . 99.989999999999995 110.294 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.635 ' CE1' ' CH2' ' A' ' 53' ' ' TRP . 3.3 t80 -83.82 -31.06 26.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 111.018 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.427 HD22 ' O ' ' A' ' 53' ' ' TRP . 20.7 tp -75.44 -23.39 56.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 99.989999999999995 109.335 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.723 ' CE1' ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -56.26 -30.6 62.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 109.615 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -71.09 -31.39 67.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 109.332 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.43 ' ND2' ' N ' ' A' ' 193' ' ' ASN . 0.2 OUTLIER -139.35 102.08 7.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.296 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.564 1.823 . . . . 99.989999999999995 111.083 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 110.925 -0.452 . . . . 99.989999999999995 110.925 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.0 mtp -79.01 120.42 80.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 110.96 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 125.3 9.21 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.511 1.795 . . . . 99.989999999999995 110.985 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.504 HG11 ' CE2' ' A' ' 181' ' ' TYR . 11.0 t -139.78 150.59 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 109.293 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.61 164.91 24.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.3 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.406 HG22 ' CD1' ' A' ' 27' ' ' LEU . 8.9 m -88.33 -45.02 10.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 99.989999999999995 110.401 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.406 ' CD1' HG22 ' A' ' 26' ' ' THR . 0.3 OUTLIER -104.76 157.56 17.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 109.279 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -70.86 158.44 36.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.615 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.576 ' HB3' ' CE1' ' A' ' 191' ' ' HIS . . . -85.73 -33.12 21.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 99.989999999999995 109.337 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.33 -66.62 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 109.282 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 66' ' ' TYR . 53.5 t30 -54.16 -36.64 63.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 99.989999999999995 109.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.07 29.29 70.71 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 111.036 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.73 170.08 16.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 0.786 . . . . 99.989999999999995 109.645 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 m -39.79 138.48 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 110.013 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.17 -62.1 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 110.995 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.2 p -70.93 -45.14 64.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.379 1.05 . . . . 99.989999999999995 110.4 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -55.3 132.46 47.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 109.376 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.7 t -127.81 112.91 20.55 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.294 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 148.23 35.27 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.488 1.783 . . . . 99.989999999999995 110.98 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.02 133.69 51.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 109.368 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.4 -12.86 33.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 111.023 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.509 ' HE1' ' CG ' ' A' ' 66' ' ' TYR . 6.7 mmt -103.39 161.88 13.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 0.803 . . . . 99.989999999999995 111.047 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -137.62 160.65 38.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 110.261 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mt -115.52 150.89 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.261 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.539 ' HB1' ' CE2' ' A' ' 47' ' ' PHE . . . -140.39 130.81 25.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 109.331 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.5 mt -110.54 128.92 66.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.218 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.539 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 51.5 m-85 -148.06 152.35 37.23 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.987 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -123.9 115.26 21.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.33 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.96 -177.39 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 111.014 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -54.7 -95.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 110.969 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.86 -179.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.262 -1.014 . . . . 99.989999999999995 108.262 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 6.0 p90 -137.3 -45.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 111.016 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -61.94 -45.51 93.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 108.003 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.49 -41.08 21.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 110.969 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.496 HG13 ' CD2' ' A' ' 59' ' ' PHE . 90.3 t -59.39 -55.38 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 99.989999999999995 109.313 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.496 ' O ' ' CE3' ' A' ' 60' ' ' TRP . 1.4 tt0 -54.69 -38.66 67.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 110.332 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.577 ' HA ' ' CZ3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -72.16 -34.76 68.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 99.989999999999995 110.33 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -35.06 62.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 99.989999999999995 109.278 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.523 ' CD1' HG12 ' A' ' 98' ' ' ILE . 0.9 OUTLIER -62.74 -65.54 0.67 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 111.004 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.577 ' CZ3' ' HA ' ' A' ' 57' ' ' ARG . 0.6 OUTLIER -56.3 -21.75 26.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.023 -1.102 . . . . 99.989999999999995 108.023 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.478 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 4.3 mm-40 -76.29 -20.45 57.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.243 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.437 ' CD2' ' HD2' ' A' ' 63' ' ' PRO . 1.6 tt -67.94 139.35 93.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.317 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.437 ' HD2' ' CD2' ' A' ' 62' ' ' LEU . 18.4 Cg_endo -74.97 114.58 4.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 99.989999999999995 111.058 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.75 -13.86 7.65 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.956 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.44 HG23 ' CG2' ' A' ' 98' ' ' ILE . 54.1 t -88.68 124.09 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 99.989999999999995 109.271 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.509 ' CG ' ' HE1' ' A' ' 42' ' ' MET . 0.8 OUTLIER -77.97 -47.58 18.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 110.994 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 p -162.72 163.03 27.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 109.934 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.7 p -142.98 169.79 16.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.449 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.61 139.39 16.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.272 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.16 129.91 44.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.292 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.481 ' HA2' ' N ' ' A' ' 182' ' ' ALA . . . -150.59 -166.88 13.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 111.056 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.573 ' CE2' ' HA ' ' A' ' 182' ' ' ALA . 4.8 m-85 -122.31 152.12 40.42 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.528 0.781 . . . . 99.989999999999995 110.967 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' A' ' 72' ' ' TYR . 77.7 p -154.46 171.28 19.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 110.411 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.52 -20.5 30.61 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 111.004 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.59 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -83.28 -172.46 48.74 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.997 -0.841 . . . . 99.989999999999995 110.997 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 14.1 m-85 -113.66 -25.68 8.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 99.989999999999995 111.008 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.41 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 15.7 m -75.7 119.28 76.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 99.989999999999995 110.343 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.417 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -74.96 138.79 23.59 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 99.989999999999995 111.072 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.49 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 7.0 p-10 41.66 60.47 8.7 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.267 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.567 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -75.01 178.1 7.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.505 1.792 . . . . 99.989999999999995 110.98 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.7 m -107.67 153.89 22.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 110.406 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -60.6 -38.3 84.19 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 110.996 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.66 -46.99 88.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 110.279 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.9 -41.63 82.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 99.989999999999995 110.349 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.0 t -52.91 -47.45 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 99.989999999999995 109.235 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -28.31 69.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 110.022 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.35 -33.98 76.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.981 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.55 13.16 73.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.536 1.148 . . . . 99.989999999999995 110.99 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.84 4.6 49.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 0.777 . . . . 99.989999999999995 109.271 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.7 p -110.97 -18.89 12.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.347 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.94 17.71 61.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 111.075 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.59 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 17.6 m-70 -82.25 163.33 21.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 99.989999999999995 109.621 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -130.25 175.2 9.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.35 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 66.1 mm-40 -77.75 125.17 28.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.621 1.2 . . . . 99.989999999999995 110.338 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -151.53 153.66 35.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 99.989999999999995 109.328 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.1 m -139.57 153.27 23.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 99.989999999999995 109.286 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -105.54 136.81 44.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.322 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.523 HG12 ' CD1' ' A' ' 59' ' ' PHE . 4.7 mp -128.67 128.07 67.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 109.353 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.2 t -116.11 105.16 17.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 99.989999999999995 109.295 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.445 ' CD2' HG21 ' A' ' 105' ' ' ILE . 17.6 p90 -128.98 173.29 10.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 110.943 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.45 130.54 25.51 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.435 1.084 . . . . 99.989999999999995 109.243 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.11 10.79 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.536 1.808 . . . . 99.989999999999995 111.013 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.46 -13.68 15.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 110.004 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.4 t -96.54 -47.14 12.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 99.989999999999995 109.341 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.445 HG21 ' CD2' ' A' ' 100' ' ' TYR . 17.7 tt -129.28 166.19 27.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 109.389 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.8 p -111.31 153.07 26.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 99.989999999999995 110.007 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 26.0 p90 -58.09 -38.18 75.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 99.989999999999995 111.066 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.637 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 1.1 tt0 -57.59 -38.86 75.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 110.327 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -65.95 -44.2 85.74 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 110.279 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.9 mt -60.87 -44.75 96.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.274 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.82 -41.22 92.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.334 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -53.33 -54.49 35.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 110.283 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 84.7 t -59.99 -44.57 94.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 99.989999999999995 109.344 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 118' ' ' HIS . 24.0 t80 -55.02 -51.2 67.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 111.025 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -67.71 -19.45 65.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.917 -1.142 . . . . 99.989999999999995 107.917 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -80.6 -38.1 29.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.387 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -94.65 -5.21 46.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 99.989999999999995 109.323 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.54 ' CE1' ' OD1' ' A' ' 119' ' ' ASP . 44.4 t60 -71.25 165.17 24.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.576 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.54 ' OD1' ' CE1' ' A' ' 118' ' ' HIS . 12.4 p-10 -102.03 147.04 33.35 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.272 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 158.71 41.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.544 1.812 . . . . 99.989999999999995 110.969 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.272 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.325 -0.25 . . . . 99.989999999999995 110.325 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.534 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 28.4 p90 -112.21 125.85 54.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 111.004 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.24 163.27 30.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 110.339 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 33.3 p -98.26 97.18 8.61 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 110.036 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.447 ' HB3' ' CE1' ' A' ' 139' ' ' TYR . . . -130.04 155.15 46.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 109.376 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 47.1 mt -120.75 133.45 67.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 109.378 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 137' ' ' ALA . 30.9 m-85 -130.28 78.18 74.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.17 . . . . 99.989999999999995 110.991 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 169.62 22.22 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.438 1.757 . . . . 99.989999999999995 110.944 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -110.21 -49.72 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.256 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.417 ' OG1' ' CG ' ' A' ' 145' ' ' GLN . 77.9 p -77.07 161.75 72.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.41 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -33.88 4.32 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.481 1.78 . . . . 99.989999999999995 111.047 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.19 -46.49 83.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 110.287 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.417 ' CG ' ' OG1' ' A' ' 142' ' ' THR . 88.3 mt-30 -57.8 -46.51 84.53 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 110.246 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.26 -46.08 76.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.271 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 151' ' ' ALA . . . -63.69 -45.56 89.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.301 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.482 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -63.54 -36.68 84.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.319 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -63.49 -59.07 5.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.332 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -64.2 -35.75 81.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 110.301 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 147' ' ' ALA . . . -60.39 -35.35 75.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 109.35 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 53.5 p -77.8 -33.32 52.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 110.046 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.444 ' C ' ' CD2' ' A' ' 153' ' ' LEU . 3.0 tt -68.3 -51.2 47.38 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.304 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -24.25 65.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.322 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.16 -56.78 4.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 110.307 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -60.65 -39.19 87.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 110.963 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . 0.471 ' O ' ' CG ' ' A' ' 160' ' ' MET . 5.5 tt0 -62.05 -45.18 94.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 99.989999999999995 110.27 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.85 -32.22 67.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 109.284 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.24 -49.37 77.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 109.294 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.496 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 5.5 ptm -67.92 -32.64 73.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.394 1.059 . . . . 99.989999999999995 110.973 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.496 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -61.87 -39.55 92.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.281 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.7 -19.63 65.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.289 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -89.01 -2.96 58.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.31 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 74.28 32.02 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.305 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.4 121.85 41.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 99.989999999999995 109.299 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.87 17.44 7.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 109.243 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -95.3 69.12 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 110.31 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.1 140.78 54.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.645 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.7 mp -73.85 126.98 35.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.316 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 4.2 p -86.89 49.2 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 110.38 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.3 m -90.01 136.01 33.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 99.989999999999995 110.414 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -121.3 132.04 54.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.088 . . . . 99.989999999999995 110.282 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 14.4 mt -109.19 126.13 66.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 109.324 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -141.61 164.21 30.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 109.246 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -46.06 167.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.276 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -87.96 89.2 7.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 109.273 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' THR . . . . . 0.473 ' HB ' ' HD2' ' A' ' 178' ' ' PRO . 6.7 p -65.98 170.01 5.89 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 110.389 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . 0.473 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -75.15 110.99 3.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 99.989999999999995 110.976 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -76.26 135.62 39.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 111.054 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . 0.417 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 15.8 m-85 -121.21 118.58 29.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 110.984 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . 0.504 ' CE2' HG11 ' A' ' 24' ' ' VAL . 61.0 m-85 -37.67 159.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 110.981 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.573 ' HA ' ' CE2' ' A' ' 72' ' ' TYR . . . -93.74 -66.38 0.92 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 109.337 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . 0.566 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 2.7 tp10 -163.58 147.47 10.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 110.339 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.41 -21.83 66.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.24 -40.3 30.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.296 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . 0.566 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 4.5 m-70 -81.03 -32.41 34.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.55 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . 0.471 ' C ' ' CG ' ' A' ' 188' ' ' GLN . 2.2 tp60 -55.07 116.35 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 110.344 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.502 ' OE1' ' CB ' ' A' ' 29' ' ' ALA . 0.7 OUTLIER 43.64 55.55 4.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.36 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.46 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 63.4 t80 -85.81 -49.57 7.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 111.061 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.421 HD22 ' CB ' ' A' ' 57' ' ' ARG . 9.1 tp -55.63 -22.39 22.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 109.217 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -55.5 -35.79 65.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 109.639 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . 0.427 ' HG2' ' ND2' ' A' ' 193' ' ' ASN . 32.9 pttt -90.06 -22.82 21.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.082 . . . . 99.989999999999995 109.32 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.3 OUTLIER -122.8 90.88 49.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 109.231 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.539 1.81 . . . . 99.989999999999995 111.016 179.923 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.945 0 N-CA-C 110.981 -0.43 . . . . 99.989999999999995 110.981 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.16 150.57 96.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.597 1.186 . . . . 99.989999999999995 110.932 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 143.63 29.16 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.464 1.77 . . . . 99.989999999999995 111.03 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.426 HG22 ' CD1' ' A' ' 181' ' ' TYR . 55.2 t -139.15 128.23 29.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 109.279 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -42.18 156.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.284 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 m -80.24 -45.13 18.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 110.4 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.405 HD11 ' N ' ' A' ' 34' ' ' SER . 0.5 OUTLIER -98.9 155.73 17.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.286 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.584 ' CE1' ' OE1' ' A' ' 188' ' ' GLN . 25.9 t-80 -71.07 163.88 26.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 109.645 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.468 ' CB ' ' OE1' ' A' ' 188' ' ' GLN . . . -87.13 -30.32 21.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.285 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.458 ' HB ' ' CE1' ' A' ' 28' ' ' HIS . 69.3 t -95.41 -67.79 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.319 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 32.2 m-80 -55.1 -36.01 65.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.301 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 69.26 25.04 75.79 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 110.996 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.596 ' CG ' ' N ' ' A' ' 34' ' ' SER . 13.5 t60 -126.89 170.13 12.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 99.989999999999995 109.561 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.596 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 3.1 m -42.81 132.77 3.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 110.052 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.37 -64.39 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 111.027 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 t -61.64 -51.89 66.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 110.416 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -54.87 126.05 22.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.329 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 t -111.56 134.45 21.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.242 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.575 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -75.02 147.93 34.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.812 . . . . 99.989999999999995 110.983 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.47 112.57 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 109.332 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.31 10.48 23.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 99.989999999999995 110.995 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.468 ' CE ' ' HB2' ' A' ' 66' ' ' TYR . 3.7 tpt -100.52 161.02 13.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 0.756 . . . . 99.989999999999995 110.975 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -141.52 145.48 35.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 110.339 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 45' ' ' ALA . 3.5 mp -106.57 145.36 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 109.293 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -123.19 129.54 51.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.254 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.6 mt -118.53 131.89 70.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 109.341 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.836 ' CE2' ' CZ ' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -156.97 165.82 35.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 110.935 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -136.43 114.54 11.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.269 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 1.6 ptm -148.48 131.96 16.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 99.989999999999995 110.984 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 49' ' ' MET . . . 34.6 -146.95 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.419 1.075 . . . . 99.989999999999995 110.987 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.0 p -61.1 173.93 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.276 -1.009 . . . . 99.989999999999995 108.276 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.486 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 7.5 p90 -127.98 -1.55 5.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 110.957 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -87.93 -50.66 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 107.957 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.44 -34.31 40.71 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 111.041 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.1 t -71.04 -54.02 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.739 . . . . 99.989999999999995 109.364 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.486 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 15.0 tt0 -48.03 -51.37 24.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.237 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.673 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 2.1 ptt180 -64.23 -24.97 67.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 110.276 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.433 HD21 ' ND2' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -78.29 -24.79 46.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 109.284 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.836 ' CZ ' ' CE2' ' A' ' 47' ' ' PHE . 5.6 m-85 -84.4 -57.82 3.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 111.044 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.673 ' CE3' ' HA ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -55.66 -26.82 46.57 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.493 1.12 . . . . 99.989999999999995 107.986 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 73.2 mt-30 -76.09 -9.91 59.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.342 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.18 144.63 63.1 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.308 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 124.01 8.28 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 99.989999999999995 110.933 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 100' ' ' TYR . . . 117.5 -16.66 12.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 111.06 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.7 t -76.63 110.0 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 99.989999999999995 109.344 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CE2' ' HG3' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -75.37 -47.94 25.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 110.961 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.0 m -144.44 152.01 40.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 110.015 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.526 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 2.4 m -137.13 140.28 41.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 99.989999999999995 110.335 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.414 ' HA ' ' NE2' ' A' ' 187' ' ' GLN . . . -139.69 166.03 25.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 109.292 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 182' ' ' ALA . . . -132.31 140.53 48.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 109.268 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.465 ' HA2' ' CB ' ' A' ' 182' ' ' ALA . . . -164.08 -155.68 8.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 110.973 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -132.24 168.91 17.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 99.989999999999995 111.01 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -175.77 161.93 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 99.989999999999995 110.353 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.36 -18.14 55.82 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 111.023 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.557 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -85.8 -176.18 50.15 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.935 -0.866 . . . . 99.989999999999995 110.935 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -114.97 -19.78 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 99.989999999999995 111.051 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 1.2 m -74.87 121.6 85.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.173 . . . . 99.989999999999995 110.413 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 141.06 26.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.455 1.766 . . . . 99.989999999999995 110.957 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.426 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 17.0 t-20 42.44 63.7 6.78 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 99.989999999999995 109.274 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.57 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -74.97 161.96 37.98 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.5 1.789 . . . . 99.989999999999995 111.011 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.1 p -110.14 153.39 24.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.41 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -54.69 -35.55 63.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 111.002 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -63.41 -47.49 81.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.173 . . . . 99.989999999999995 110.326 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.459 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 49.8 mt-10 -72.31 -45.1 61.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 110.283 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.6 t -51.53 -38.82 21.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.269 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.4 t -72.24 -33.62 67.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.088 . . . . 99.989999999999995 110.019 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.6 m -63.74 -39.55 94.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 99.989999999999995 109.944 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.01 8.35 59.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 111.029 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -80.78 -17.36 51.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 99.989999999999995 109.317 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.459 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 8.5 p -88.77 -19.42 26.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 110.387 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.13 15.34 58.44 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 110.966 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.57 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 30.5 m-70 -83.71 151.3 25.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.77 . . . . 99.989999999999995 109.588 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -121.46 168.5 11.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 99.989999999999995 109.28 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.463 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 0.2 OUTLIER -70.24 129.32 39.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 110.306 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -156.31 151.37 26.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 109.263 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.8 m -140.68 164.92 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 109.319 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.13 122.24 35.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 110.298 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.614 ' CD1' ' CZ ' ' A' ' 47' ' ' PHE . 1.6 mp -111.69 132.28 60.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 66' ' ' TYR . 11.6 t -109.55 108.84 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 109.309 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 8.5 p90 -128.48 172.27 11.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 99.989999999999995 110.995 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.4 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 0.4 OUTLIER -112.26 133.05 21.83 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 109.274 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -1.09 10.76 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.498 1.789 . . . . 99.989999999999995 111.011 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.09 -25.33 19.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 110.038 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 77.4 t -109.05 -49.15 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.316 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.521 ' CD1' ' CD ' ' A' ' 109' ' ' GLN . 0.2 OUTLIER -121.93 131.28 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.326 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.428 ' N ' HD12 ' A' ' 105' ' ' ILE . 3.5 p -98.44 150.82 21.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 110.011 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.669 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 2.3 p90 -63.76 -36.63 84.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 110.995 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.669 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 15.6 tt0 -53.11 -48.61 67.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 110.271 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.521 ' CD ' ' CD1' ' A' ' 105' ' ' ILE . 2.0 pt20 -63.36 -36.91 85.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 110.313 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.471 ' HG ' ' CD1' ' A' ' 105' ' ' ILE . 17.2 mt -58.72 -49.51 77.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 109.279 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.432 ' HB3' ' CZ2' ' A' ' 115' ' ' TRP . 26.8 mt -50.88 -39.31 53.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.347 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.45 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -63.11 -34.73 78.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 110.326 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 14.0 t -74.86 -37.58 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 99.989999999999995 109.308 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 118' ' ' HIS . 7.9 m-85 -54.46 -53.16 57.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 111.022 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.574 ' CZ2' ' HB2' ' A' ' 152' ' ' SER . 0.7 OUTLIER -61.31 -23.11 65.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 99.989999999999995 107.981 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.58 -38.24 70.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.326 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.473 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 14.8 t-20 -95.04 -14.48 24.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 99.989999999999995 109.301 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.546 ' HD1' ' N ' ' A' ' 119' ' ' ASP . 16.1 t-80 -69.76 148.67 48.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 109.643 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.546 ' N ' ' HD1' ' A' ' 118' ' ' HIS . 6.9 m-20 -112.23 155.56 43.35 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.162 . . . . 99.989999999999995 109.334 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 160.54 39.97 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.49 1.784 . . . . 99.989999999999995 111.013 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 109.297 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.24 -0.282 . . . . 99.989999999999995 110.24 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -126.91 125.3 41.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 110.962 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -147.32 92.99 2.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 99.989999999999995 110.32 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 73.7 m -60.82 91.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 109.992 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -133.99 163.92 28.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.282 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.42 ' CG2' ' HD3' ' A' ' 140' ' ' PRO . 30.0 mt -122.85 130.45 74.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.304 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -122.87 75.45 48.16 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 111.047 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.42 ' HD3' ' CG2' ' A' ' 138' ' ' ILE . 18.2 Cg_endo -74.98 169.65 22.16 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.481 1.779 . . . . 99.989999999999995 111.013 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.46 HD23 ' CB ' ' A' ' 176' ' ' ALA . 0.2 OUTLIER -109.16 -55.44 2.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 109.249 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.6 p -67.97 157.29 87.33 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 110.419 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -42.61 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.544 1.813 . . . . 99.989999999999995 111.026 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.36 -38.67 80.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 110.366 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -68.57 -35.51 77.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.178 . . . . 99.989999999999995 110.339 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -49.24 61.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.377 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.9 -35.44 80.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 109.284 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.9 -45.98 59.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.289 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.41 -56.57 18.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 109.318 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 151' ' ' ALA . 8.6 ptp180 -60.52 -34.33 73.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 110.351 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.421 ' N ' ' HG3' ' A' ' 150' ' ' ARG . . . -60.27 -45.44 93.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.394 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 23.1 p -59.07 -43.55 91.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 99.989999999999995 109.942 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 6.1 tt -53.5 -50.37 65.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 109.311 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -52.53 -46.78 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.385 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -40.4 74.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 110.297 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.408 ' CD2' HD12 ' A' ' 169' ' ' ILE . 6.0 t80 -59.84 -48.1 83.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 99.989999999999995 110.93 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 158' ' ' ALA . 1.2 pt20 -70.03 -26.07 63.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 110.283 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 157' ' ' GLN . . . -68.73 -46.95 67.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.296 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.8 96.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 109.295 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.417 ' C ' ' SD ' ' A' ' 160' ' ' MET . 14.5 tmm? -60.64 -48.15 83.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 111.011 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -30.07 71.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 109.302 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.85 -20.06 63.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 109.341 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -89.26 14.46 10.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 109.313 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 2.5 t70 58.7 31.05 20.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 109.314 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.49 136.01 44.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 99.989999999999995 109.383 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -98.13 8.45 44.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 109.205 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.3 mtm-85 -80.19 72.65 7.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.43 1.081 . . . . 99.989999999999995 110.278 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -66.45 142.5 57.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 109.658 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.408 HD12 ' CD2' ' A' ' 156' ' ' PHE . 3.4 mp -78.77 131.01 35.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 109.311 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 27.1 p -85.71 48.21 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 110.389 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 3.2 m -90.73 124.25 34.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 110.384 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.84 140.52 52.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.604 1.19 . . . . 99.989999999999995 110.332 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.1 mp -117.88 127.59 75.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.298 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -140.34 171.74 13.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.077 . . . . 99.989999999999995 109.313 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -42.76 164.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.34 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . 0.46 ' CB ' HD23 ' A' ' 141' ' ' LEU . . . -86.93 87.85 7.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 109.327 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 30.1 p -59.66 164.23 5.89 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 110.418 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 117.53 4.96 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.768 . . . . 99.989999999999995 111.001 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.574 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -76.59 141.77 40.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 111.039 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 181' ' ' TYR . 40.3 m-85 -119.37 105.38 11.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 110.996 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 179' ' ' PHE . 18.4 m-85 -35.72 150.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 99.989999999999995 111.003 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.465 ' CB ' ' HA2' ' A' ' 71' ' ' GLY . . . -107.91 173.52 6.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 109.326 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -44.1 141.54 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 110.302 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -54.97 -36.34 65.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.241 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.71 -42.98 89.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 109.345 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -68.26 -46.26 70.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 109.567 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . 0.414 ' NE2' ' HA ' ' A' ' 69' ' ' ALA . 14.6 tp60 -49.46 112.65 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 110.276 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.584 ' OE1' ' CE1' ' A' ' 28' ' ' HIS . 10.0 mt-30 49.42 58.73 5.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 110.333 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.433 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 12.0 t80 -82.06 -37.99 25.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 111.011 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 193' ' ' ASN . 0.5 OUTLIER -72.45 -27.94 62.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 109.259 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.545 ' CD2' ' N ' ' A' ' 192' ' ' LYS . 0.0 OUTLIER -57.07 -38.85 73.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 109.616 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . 0.545 ' N ' ' CD2' ' A' ' 191' ' ' HIS . 9.8 mmmt -65.02 -42.75 94.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 109.325 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -120.38 103.9 43.76 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 109.298 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 99.989999999999995 110.999 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 110.961 -0.438 . . . . 99.989999999999995 110.961 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.432 ' CE ' HG22 ' A' ' 81' ' ' THR . 0.7 OUTLIER -71.59 150.98 93.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 110.94 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 128.59 11.6 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.495 1.787 . . . . 99.989999999999995 110.996 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.419 HG11 ' CD2' ' A' ' 181' ' ' TYR . 3.0 t -123.06 136.24 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.268 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.15 153.21 42.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 109.285 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.437 ' CG2' HD11 ' A' ' 27' ' ' LEU . 18.2 m -78.5 -44.1 25.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 110.399 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.437 HD11 ' CG2' ' A' ' 26' ' ' THR . 0.0 OUTLIER -103.45 132.28 49.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.31 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.575 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 25.4 t-80 -44.44 160.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 109.601 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.505 ' CB ' ' OE1' ' A' ' 188' ' ' GLN . . . -84.51 -29.69 25.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 99.989999999999995 109.286 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.591 HG12 ' CD2' ' A' ' 60' ' ' TRP . 55.3 t -95.39 -66.34 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.277 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -54.83 -39.96 69.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 109.262 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.36 19.61 79.37 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 111.004 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.472 ' CG ' ' N ' ' A' ' 34' ' ' SER . 21.7 t60 -122.99 162.67 21.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 0.722 . . . . 99.989999999999995 109.627 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.472 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 1.0 OUTLIER -42.34 142.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.985 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.8 mtp -98.33 -60.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 110.974 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.1 t -60.65 -47.68 85.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.415 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.436 ' HB2' ' CB ' ' A' ' 34' ' ' SER . 3.5 m-80 -54.32 125.63 20.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 109.217 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.3 t -116.17 117.23 39.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.291 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 146.19 32.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.778 . . . . 99.989999999999995 111.044 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.99 131.66 47.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 99.989999999999995 109.274 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.33 2.15 59.08 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 111.018 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.458 ' HE2' ' CB ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -108.17 151.51 25.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.584 0.814 . . . . 99.989999999999995 111.042 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -131.08 165.19 23.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.183 . . . . 99.989999999999995 110.238 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.423 HG21 ' CG ' ' A' ' 97' ' ' ARG . 3.0 mt -115.92 152.61 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.277 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -149.88 136.96 19.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.175 . . . . 99.989999999999995 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 47' ' ' PHE . 71.0 mt -114.83 138.4 45.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.401 ' N ' HG22 ' A' ' 46' ' ' ILE . 41.6 m-85 -148.88 147.53 28.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 99.989999999999995 111.077 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -129.47 115.02 16.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 99.989999999999995 109.34 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.461 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -120.74 -176.73 3.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 111.033 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.79 -78.96 0.07 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 111.012 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.9 t -77.84 179.89 6.41 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.281 -1.007 . . . . 99.989999999999995 108.281 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.526 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -127.82 -43.49 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.978 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.501 ' CD1' ' HB3' ' A' ' 189' ' ' TYR . 14.0 m0 -71.45 -34.25 70.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.185 . . . . 99.989999999999995 108.109 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.11 -48.98 7.2 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 111.022 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.569 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 70.9 t -63.13 -51.18 74.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 99.989999999999995 109.249 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.438 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.22 -50.43 69.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 110.342 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -69.07 -26.77 65.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.416 1.073 . . . . 99.989999999999995 110.321 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.33 -33.76 74.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.584 1.177 . . . . 99.989999999999995 109.335 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.569 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 16.8 m-85 -68.42 -47.82 66.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 110.994 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.591 ' CD2' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -67.37 -55.85 12.09 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.962 -1.125 . . . . 99.989999999999995 107.962 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.525 ' N ' ' CG ' ' A' ' 60' ' ' TRP . 2.7 mt-30 -48.81 -22.25 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 110.248 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.87 142.64 83.39 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 99.989999999999995 109.299 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 116.94 4.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 99.989999999999995 111.02 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.452 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 122.81 -17.52 8.18 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 111.06 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 59' ' ' PHE . 63.3 t -88.39 125.38 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 0.798 . . . . 99.989999999999995 109.314 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.1 -56.86 4.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 110.932 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.4 p -152.31 166.32 32.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 109.945 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.5 p -144.04 149.68 37.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 99.989999999999995 110.37 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -128.02 138.66 52.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 109.328 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.422 ' HA ' ' CG1' ' A' ' 96' ' ' VAL . . . -97.79 139.1 34.16 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.087 . . . . 99.989999999999995 109.307 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.412 ' CA ' ' O ' ' A' ' 180' ' ' TYR . . . -166.21 -162.97 18.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.961 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.519 ' CZ ' ' HB1' ' A' ' 182' ' ' ALA . 2.5 m-85 -142.78 163.37 32.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 99.989999999999995 111.053 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.0 t -168.71 160.46 10.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 110.397 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.33 -20.25 49.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 111.053 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.528 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -70.7 -178.75 26.75 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 99.989999999999995 110.992 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -115.09 -18.6 11.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 99.989999999999995 110.978 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.7 m -74.83 128.57 85.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 99.989999999999995 110.37 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -75.01 119.89 5.84 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.443 1.759 . . . . 99.989999999999995 110.987 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 78' ' ' PRO . 8.6 t-20 40.0 65.6 3.7 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.317 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.561 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.02 176.09 10.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.544 1.813 . . . . 99.989999999999995 111.009 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.432 HG22 ' CE ' ' A' ' 22' ' ' MET . 23.5 m -102.2 159.94 14.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 99.989999999999995 110.34 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -52.82 -48.62 66.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 110.996 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -36.91 75.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 110.311 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -70.6 -41.45 72.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.293 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.56 -46.06 76.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 109.342 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -29.36 68.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.423 1.077 . . . . 99.989999999999995 110.014 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.1 t -71.36 -39.89 70.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 109.998 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.8 12.43 57.97 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 111.044 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -84.29 5.75 25.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 0.762 . . . . 99.989999999999995 109.32 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.3 p -113.38 -25.51 8.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 110.356 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.21 29.55 66.32 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.934 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.561 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 18.6 m-70 -82.99 155.52 23.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 99.989999999999995 109.623 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -112.55 142.31 45.28 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 109.324 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.72 110.81 7.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 110.307 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.03 153.75 51.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.27 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.422 ' CG1' ' HA ' ' A' ' 70' ' ' ALA . 34.8 m -140.03 149.85 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 109.324 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 179' ' ' PHE . 2.1 ttm180 -93.38 145.07 24.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 110.275 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.53 HG12 ' CG ' ' A' ' 59' ' ' PHE . 3.5 mp -135.62 117.81 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.275 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 58.4 t -110.03 106.34 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 99.989999999999995 109.255 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 9.0 p90 -127.08 177.46 6.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 110.964 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.458 ' CB ' ' HE2' ' A' ' 42' ' ' MET . 0.2 OUTLIER -106.57 133.05 20.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 99.989999999999995 109.266 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.55 8.78 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.531 1.806 . . . . 99.989999999999995 111.019 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.6 -26.73 15.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 110.004 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 64.3 t -101.49 -50.23 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.299 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.452 ' CG2' ' HA3' ' A' ' 64' ' ' GLY . 3.7 tt -119.3 143.59 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 109.279 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 p -115.52 155.52 27.37 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 109.973 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 16.0 p90 -63.36 -24.65 67.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 111.009 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.403 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.2 tt0 -65.06 -45.26 86.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 110.294 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -72.65 -39.42 67.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.341 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 16.0 mt -58.98 -52.0 67.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 99.989999999999995 109.358 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.553 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -59.98 -29.18 68.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 109.28 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.4 ' N ' HD23 ' A' ' 111' ' ' LEU . 9.4 mt-30 -72.1 -44.79 62.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.308 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -71.92 -34.21 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.268 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -61.98 -42.82 99.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 99.989999999999995 110.974 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.587 ' CZ2' HD22 ' A' ' 153' ' ' LEU . 35.3 m95 -75.02 -14.24 60.58 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.018 -1.104 . . . . 99.989999999999995 108.018 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -86.06 -17.61 34.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 110.334 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.461 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 0.6 OUTLIER -116.76 5.16 13.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 109.274 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.51 175.1 10.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.607 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 36.7 p30 -119.21 157.17 51.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 109.302 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 160.5 39.75 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.496 1.787 . . . . 99.989999999999995 111.013 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 109.3 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.34 -0.245 . . . . 99.989999999999995 110.34 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.417 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 29.0 p90 -126.4 125.22 41.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 110.957 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -130.35 163.68 26.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 110.351 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.0 t -83.88 109.45 17.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 109.934 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -144.83 148.71 34.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 99.989999999999995 109.281 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.552 HD13 ' CZ2' ' A' ' 115' ' ' TRP . 66.9 mt -111.08 130.49 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -126.18 71.05 69.74 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 111.023 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.485 ' HD3' ' CG2' ' A' ' 138' ' ' ILE . 18.4 Cg_endo -74.89 167.4 27.15 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.551 1.816 . . . . 99.989999999999995 111.041 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.09 -60.99 1.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 99.989999999999995 109.293 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.465 ' CG2' ' HB2' ' A' ' 145' ' ' GLN . 0.1 OUTLIER -56.22 155.38 13.01 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 110.438 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -35.87 2.87 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 99.989999999999995 110.994 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -65.09 -35.45 81.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.09 . . . . 99.989999999999995 110.306 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.465 ' HB2' ' CG2' ' A' ' 142' ' ' THR . 58.3 tt0 -67.8 -49.26 63.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 99.989999999999995 110.27 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.42 -35.71 63.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 99.989999999999995 109.348 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 151' ' ' ALA . . . -73.44 -43.26 60.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.3 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.65 -46.48 85.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 99.989999999999995 109.323 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . 0.432 ' O ' ' OG ' ' A' ' 152' ' ' SER . . . -55.79 -53.31 58.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 109.325 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -68.25 -29.28 68.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 110.314 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 147' ' ' ALA . . . -61.36 -48.32 81.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.257 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 156' ' ' PHE . 1.8 p -56.72 -44.62 81.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 99.989999999999995 109.96 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.587 HD22 ' CZ2' ' A' ' 115' ' ' TRP . 0.4 OUTLIER -65.88 -37.39 85.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 99.989999999999995 109.3 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -49.37 -46.74 47.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.278 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 159' ' ' ALA . 0.0 OUTLIER -91.43 -52.58 4.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 110.352 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' A' ' 152' ' ' SER . 10.1 t80 -50.21 -51.35 44.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.984 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . 0.524 ' CB ' ' O ' ' A' ' 153' ' ' LEU . 39.4 tt0 -56.51 -44.08 80.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.83 -28.5 63.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 99.989999999999995 109.301 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 155' ' ' ARG . . . -65.67 -48.75 71.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.527 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 2.9 ptm -65.73 -32.03 73.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.994 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.527 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -68.2 -42.02 80.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 109.29 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.26 -19.39 65.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.266 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -82.03 1.87 33.7 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.292 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 3.6 t70 72.21 22.46 3.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 99.989999999999995 109.303 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.19 111.97 24.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.255 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.43 -1.87 39.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 99.989999999999995 109.258 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.62 79.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 110.295 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -49.95 153.27 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 109.595 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.66 140.19 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.331 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 7.1 p -98.23 1.94 47.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 110.393 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 78.6 p -92.26 126.61 37.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 110.452 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.02 124.52 45.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 110.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 2.9 mt -95.35 120.82 45.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 99.989999999999995 109.352 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -144.82 164.87 29.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 109.325 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -41.84 161.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.312 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -89.86 86.76 6.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 109.3 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 18.4 p -59.83 160.88 13.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 99.989999999999995 110.342 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 98.71 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.503 1.791 . . . . 99.989999999999995 110.978 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.592 ' CZ ' ' CE1' ' A' ' 181' ' ' TYR . 0.7 OUTLIER -79.0 139.68 38.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 111.019 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . 0.412 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 6.6 m-85 -95.5 123.69 39.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 99.989999999999995 111.072 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . 0.592 ' CE1' ' CZ ' ' A' ' 179' ' ' PHE . 3.7 m-85 -51.42 157.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 111.038 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.519 ' HB1' ' CZ ' ' A' ' 72' ' ' TYR . . . -110.48 167.72 10.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.345 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . 0.563 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 11.7 tp10 -40.02 146.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 110.271 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -64.75 -24.46 67.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.324 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.31 -39.0 68.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 99.989999999999995 109.344 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 43.6 m-70 -71.88 -44.21 64.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 109.571 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -57.29 125.61 23.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 110.281 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.575 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 4.1 mp0 54.7 47.23 22.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 110.288 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.501 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 12.2 t80 -85.15 -24.84 27.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 111.058 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -46.27 35.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.356 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.515 ' CG ' ' CG2' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -58.75 -28.98 66.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.557 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -70.41 -31.71 69.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.244 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.7 OUTLIER -136.49 103.67 9.4 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 109.279 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 99.989999999999995 110.98 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.477 ' N ' HD21 ' A' ' 79' ' ' ASN . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.934 0 N-CA-C 110.99 -0.427 . . . . 99.989999999999995 110.99 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.2 ptp -81.77 138.46 46.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 111.001 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.37 35.14 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.566 1.824 . . . . 99.989999999999995 111.018 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.441 HG22 ' CB ' ' A' ' 181' ' ' TYR . 25.6 t -130.49 146.02 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.25 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.76 150.0 4.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.302 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.469 ' CG2' HD13 ' A' ' 27' ' ' LEU . 3.5 m -81.21 -41.6 22.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.419 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.469 HD13 ' CG2' ' A' ' 26' ' ' THR . 0.2 OUTLIER -108.21 133.6 52.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.431 1.082 . . . . 99.989999999999995 109.367 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.545 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 20.6 t-80 -45.54 157.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.601 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.5 ' CB ' ' OE1' ' A' ' 188' ' ' GLN . . . -84.8 -26.53 27.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.296 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.585 HG11 ' CE2' ' A' ' 60' ' ' TRP . 51.8 t -95.67 -67.77 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.312 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -55.18 -39.42 69.54 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.399 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.56 19.35 76.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 110.987 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.562 ' CG ' ' N ' ' A' ' 34' ' ' SER . 18.6 t60 -126.25 169.86 12.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 99.989999999999995 109.658 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.562 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 16.7 m -38.86 138.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 110.051 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.12 -50.57 4.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 111.021 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.9 t -67.45 -50.05 60.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 110.431 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.412 ' HB3' ' CB ' ' A' ' 34' ' ' SER . 6.4 t30 -54.84 143.43 25.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 99.989999999999995 109.251 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 42' ' ' MET . 54.4 t -126.32 140.99 38.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.316 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.91 144.86 31.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.491 1.784 . . . . 99.989999999999995 111.075 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.23 120.33 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.09 . . . . 99.989999999999995 109.267 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.55 8.58 52.1 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.445 1.091 . . . . 99.989999999999995 111.054 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.479 ' SD ' ' CA ' ' A' ' 101' ' ' ASP . 1.8 tpp -105.13 159.52 15.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 99.989999999999995 111.004 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.23 166.22 23.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 110.324 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.471 ' CG2' ' HG3' ' A' ' 97' ' ' ARG . 3.3 mt -111.82 154.73 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.295 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.483 ' HB2' ' CE2' ' A' ' 100' ' ' TYR . . . -145.78 129.9 17.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.279 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 55.7 mt -107.78 131.91 56.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.31 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -141.74 147.99 38.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 111.005 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.87 118.47 26.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.391 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.66 179.14 6.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.408 1.068 . . . . 99.989999999999995 111.044 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -56.53 -98.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.105 . . . . 99.989999999999995 111.008 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.2 p -73.7 89.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.308 -0.997 . . . . 99.989999999999995 108.308 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.447 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 37.8 p90 -58.37 -18.86 30.93 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 111.008 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.734 ' CH2' ' CD1' ' A' ' 189' ' ' TYR . 0.9 OUTLIER -67.78 -48.42 66.38 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.95 -1.13 . . . . 99.989999999999995 107.95 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -74.72 -40.72 36.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 111.031 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.564 HG12 ' CE2' ' A' ' 59' ' ' PHE . 86.7 t -61.98 -57.1 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 0.743 . . . . 99.989999999999995 109.36 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -40.84 50.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 110.373 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.477 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 32.9 ttt180 -74.13 -29.63 61.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 110.344 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -38.39 61.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 99.989999999999995 109.271 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.564 ' CE2' HG12 ' A' ' 55' ' ' VAL . 2.0 m-85 -58.17 -52.2 66.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 99.989999999999995 111.021 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.589 ' CE2' ' HG2' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -69.07 -52.0 32.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 108.014 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.589 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 10.6 mm-40 -49.24 -22.12 0.97 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 110.309 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.46 ' CD1' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -72.38 139.45 81.5 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 109.316 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.46 ' HD2' ' CD1' ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.0 114.64 4.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 99.989999999999995 110.992 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.461 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 126.58 -10.59 7.17 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.514 1.133 . . . . 99.989999999999995 110.97 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.454 ' CG1' ' HA ' ' A' ' 60' ' ' TRP . 38.1 t -94.63 127.56 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 99.989999999999995 109.301 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -79.86 -56.71 4.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.964 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.7 p -152.23 165.01 36.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 99.989999999999995 110.009 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 81.4 p -136.89 170.53 15.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.426 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.22 131.89 10.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 109.312 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -97.02 139.33 33.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.266 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -170.91 -160.36 19.22 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 111.008 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -140.89 164.74 29.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 0.786 . . . . 99.989999999999995 110.985 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.1 t -166.6 164.72 16.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 110.396 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.37 -19.68 51.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.11 . . . . 99.989999999999995 111.035 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.523 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -77.25 178.4 51.56 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.03 -0.828 . . . . 99.989999999999995 111.03 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -114.56 -18.62 11.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.789 . . . . 99.989999999999995 111.015 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.426 ' CG2' ' OE2' ' A' ' 84' ' ' GLU . 18.8 m -74.41 122.18 86.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.423 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 151.35 39.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 99.989999999999995 111.041 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.477 HD21 ' N ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER 40.58 63.3 5.61 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.326 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 17.9 Cg_endo -75.08 153.88 41.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 99.989999999999995 110.929 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 57.6 p -114.13 154.15 28.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 110.325 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -49.93 -41.61 46.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 110.981 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -65.65 -32.31 73.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.242 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.469 ' HG2' ' CG2' ' A' ' 90' ' ' THR . 4.7 tt0 -66.81 -45.35 78.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 110.297 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 39.7 t -54.73 -45.77 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 109.299 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -26.95 68.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.989 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 p -67.45 -40.01 85.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 109.993 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.09 10.62 85.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 111.036 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.3 9.84 41.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 99.989999999999995 109.303 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.469 ' CG2' ' HG2' ' A' ' 84' ' ' GLU . 2.8 p -107.33 -24.35 11.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 110.369 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.0 14.43 70.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 111.012 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.523 ' CG ' ' HA3' ' A' ' 75' ' ' GLY . 30.4 m-70 -79.19 158.23 27.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 99.989999999999995 109.663 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -121.24 161.7 21.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 99.989999999999995 109.344 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -82.87 112.85 20.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 110.328 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.79 166.01 20.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 109.365 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.3 t -146.68 139.28 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.28 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 179' ' ' PHE . 18.3 ttm180 -97.56 141.65 30.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 110.285 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.524 HG12 ' CG ' ' A' ' 59' ' ' PHE . 4.6 mp -136.11 134.12 50.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.3 t -120.01 104.05 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 99.989999999999995 109.332 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.613 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 4.6 p90 -126.16 177.72 6.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.99 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.479 ' CA ' ' SD ' ' A' ' 42' ' ' MET . 0.6 OUTLIER -106.88 132.66 20.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 109.339 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -4.9 16.09 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.575 1.829 . . . . 99.989999999999995 110.98 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.88 -17.26 20.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 110.065 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.1 t -106.24 -47.04 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.278 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.461 ' CG2' ' HA3' ' A' ' 64' ' ' GLY . 0.0 OUTLIER -116.87 152.13 18.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.321 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.44 ' N ' HG12 ' A' ' 105' ' ' ILE . 60.6 p -116.71 160.76 20.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 110.05 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.476 ' CG ' ' HG3' ' A' ' 145' ' ' GLN . 5.7 m-85 -70.62 -31.21 68.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 111.086 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 109' ' ' GLN . 9.0 pt-20 -63.06 -41.53 99.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 110.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.434 ' HG3' ' N ' ' A' ' 110' ' ' LEU . 3.2 pt20 -75.95 -34.92 59.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.344 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.613 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 13.1 mt -60.86 -48.74 80.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.17 . . . . 99.989999999999995 109.283 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.515 ' HB3' ' CE2' ' A' ' 115' ' ' TRP . 5.7 mt -68.4 -33.4 74.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.356 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.566 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 0.4 OUTLIER -53.8 -49.87 67.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 110.257 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 3.1 t -73.18 -33.33 41.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 109.299 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 118' ' ' HIS . 9.8 t80 -58.74 -49.08 78.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 111.028 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 152' ' ' SER . 3.2 m0 -62.71 -20.91 65.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 108.009 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -80.24 -36.41 34.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 110.321 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.53 -3.19 47.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.298 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.487 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 24.6 t-80 -77.37 165.18 24.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 109.562 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.487 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 12.9 t70 -107.91 143.92 28.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 99.989999999999995 109.35 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 160.06 40.74 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.429 1.752 . . . . 99.989999999999995 111.008 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 109.282 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.327 -0.249 . . . . 99.989999999999995 110.327 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.469 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 40.4 p90 -117.62 127.17 53.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 99.989999999999995 111.009 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.13 167.36 20.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 110.277 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.467 ' CB ' ' CD2' ' A' ' 118' ' ' HIS . 17.7 p -94.53 98.74 11.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.055 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -129.93 160.06 34.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.363 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 42.0 mt -126.86 131.0 71.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.422 1.077 . . . . 99.989999999999995 109.298 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.537 ' N ' ' CD1' ' A' ' 139' ' ' TYR . 3.5 m-85 -128.35 77.96 76.31 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 111.01 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 166.68 28.72 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.786 . . . . 99.989999999999995 111.029 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.452 ' CD2' ' HB1' ' A' ' 176' ' ' ALA . 0.1 OUTLIER -110.63 -59.09 2.0 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.338 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 66.4 p -62.22 160.92 28.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 110.388 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -34.75 3.53 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.504 1.792 . . . . 99.989999999999995 111.022 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -68.06 -49.85 58.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 99.989999999999995 110.346 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.476 ' HG3' ' CG ' ' A' ' 107' ' ' TYR . 12.9 tt0 -55.4 -39.7 70.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 110.35 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -54.09 46.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.09 . . . . 99.989999999999995 109.331 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 151' ' ' ALA . . . -60.91 -31.79 71.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 109.333 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.18 -50.56 26.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 99.989999999999995 109.296 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.55 -57.08 13.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 99.989999999999995 109.277 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.479 ' CG ' ' HA ' ' A' ' 147' ' ' ALA . 1.1 ppt_? -60.68 -31.67 70.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 110.302 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 147' ' ' ALA . . . -61.9 -39.27 91.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.34 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 4.3 p -72.56 -32.32 65.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 109.978 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 2.7 tt -63.92 -49.08 74.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 109.342 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -69.77 -20.65 63.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.263 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -81.22 -54.39 5.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 110.336 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.422 ' CD1' HD12 ' A' ' 169' ' ' ILE . 2.2 t80 -60.14 -39.69 87.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 110.952 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 160' ' ' MET . 0.3 OUTLIER -62.8 -44.28 96.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.328 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.15 -32.54 69.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 109.316 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.9 -48.74 79.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 99.989999999999995 109.321 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.519 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 7.1 ptm -68.1 -32.16 72.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 110.952 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.519 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -64.34 -35.73 81.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 109.289 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.38 -23.06 66.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.289 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -92.36 12.3 23.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 99.989999999999995 109.306 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 5.2 t0 57.9 34.8 24.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.333 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.73 121.45 39.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.332 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -88.41 13.02 12.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 109.263 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.51 69.68 9.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 110.273 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -66.41 137.19 56.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.617 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.422 HD12 ' CD1' ' A' ' 156' ' ' PHE . 2.7 mp -73.31 138.43 21.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.334 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 2.1 t -95.49 43.33 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 110.381 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.3 m -80.91 125.54 30.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 99.989999999999995 110.421 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -112.37 136.65 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.252 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 19.9 mt -117.71 123.3 71.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.071 . . . . 99.989999999999995 109.276 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -144.88 163.25 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 99.989999999999995 109.34 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -47.58 163.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.237 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . 0.452 ' HB1' ' CD2' ' A' ' 141' ' ' LEU . . . -84.71 83.43 8.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 99.989999999999995 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 54.5 p -60.67 160.79 17.28 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 110.377 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 93.64 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.468 1.772 . . . . 99.989999999999995 111.007 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -80.48 145.44 31.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.953 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -100.46 125.2 46.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 111.047 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . 0.441 ' CB ' HG22 ' A' ' 24' ' ' VAL . 82.4 m-85 -47.26 172.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 111.015 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -118.11 172.02 7.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.579 1.174 . . . . 99.989999999999995 109.322 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . 0.55 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 4.1 tt0 -43.91 141.65 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 110.311 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -61.42 -23.24 65.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 109.252 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.17 -44.67 71.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.311 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . 0.55 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 43.2 m-70 -76.25 -32.55 58.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 109.615 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . 0.645 ' C ' ' HG2' ' A' ' 188' ' ' GLN . 27.7 mm-40 -45.89 111.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.332 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.645 ' HG2' ' C ' ' A' ' 187' ' ' GLN . 5.1 pt20 37.5 60.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 99.989999999999995 110.332 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.734 ' CD1' ' CH2' ' A' ' 53' ' ' TRP . 46.3 t80 -85.48 -24.48 27.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 110.963 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.419 ' CD2' ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -63.26 -46.59 86.13 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.297 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.53 ' CG ' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -58.91 -28.63 66.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.604 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.44 -28.76 59.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 109.294 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.642 ' ND2' ' CE1' ' A' ' 189' ' ' TYR . 7.4 m-80 -127.91 102.49 22.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 109.405 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.544 1.812 . . . . 99.989999999999995 111.06 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.043 -0.407 . . . . 99.989999999999995 111.043 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 10.6 tpp -70.98 133.95 85.8 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 110.975 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 130.81 13.66 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.473 1.775 . . . . 99.989999999999995 110.999 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 181' ' ' TYR . 21.4 t -129.79 140.37 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.305 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.15 163.45 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.327 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 m -76.94 -31.28 56.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.399 1.062 . . . . 99.989999999999995 110.372 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.42 ' CB ' ' C ' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -136.85 154.12 50.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 99.989999999999995 109.287 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.576 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 11.8 t-80 -50.41 157.03 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.174 . . . . 99.989999999999995 109.592 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.505 ' CB ' ' OE1' ' A' ' 188' ' ' GLN . . . -85.52 -31.34 22.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.297 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.697 HG11 ' CE2' ' A' ' 60' ' ' TRP . 31.8 t -84.76 -69.25 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 109.347 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 66' ' ' TYR . 2.1 t-20 -55.19 -40.35 70.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 109.304 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.27 23.04 66.57 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.995 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.555 ' CD2' ' O ' ' A' ' 34' ' ' SER . 5.3 t60 -129.68 162.09 29.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.733 . . . . 99.989999999999995 109.646 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.555 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 48.9 m -47.59 139.97 6.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 110.033 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.5 mtp -98.31 -65.15 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 110.966 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.2 t -49.99 -22.69 1.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 110.334 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.415 ' HB2' ' CB ' ' A' ' 34' ' ' SER . 20.0 m-20 -75.67 129.99 38.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.252 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.6 t -130.63 105.28 15.7 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 99.989999999999995 109.239 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 143.82 29.46 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.437 1.756 . . . . 99.989999999999995 111.026 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.81 133.12 47.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.318 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.54 -7.37 32.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.934 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.403 ' HE2' ' CD1' ' A' ' 66' ' ' TYR . 4.0 mtt -115.04 164.72 13.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 99.989999999999995 110.951 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.18 167.74 20.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 99.989999999999995 110.297 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mp -118.77 147.85 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.277 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -125.36 128.89 48.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.619 1.199 . . . . 99.989999999999995 109.288 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.1 mt -122.72 123.98 69.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 99.989999999999995 109.303 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.456 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 1.5 p90 -156.96 161.92 39.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 110.976 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.79 140.77 52.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 109.321 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.4 165.9 27.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 110.956 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -36.84 -72.29 0.16 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 110.973 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.64 -179.31 6.37 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.257 -1.016 . . . . 99.989999999999995 108.257 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.462 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 2.6 p90 -145.8 -44.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 111.015 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.747 ' CZ3' ' CE1' ' A' ' 189' ' ' TYR . 17.0 m0 -67.58 -43.29 80.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 108.02 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.72 -37.7 25.83 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.99 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.456 ' CG1' ' CZ ' ' A' ' 47' ' ' PHE . 39.2 t -52.36 -57.12 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.445 0.733 . . . . 99.989999999999995 109.281 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 14.7 pt-20 -63.44 -41.37 98.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 110.323 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.407 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 2.0 tmm_? -61.42 -34.69 75.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 110.313 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.36 -20.23 59.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 109.311 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.548 ' CD2' HG12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -78.76 -59.71 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 111.025 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.697 ' CE2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -56.21 -51.43 68.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 108.022 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.583 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 1.6 mm-40 -48.57 -22.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 110.282 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.404 ' N ' ' C ' ' A' ' 60' ' ' TRP . 0.3 OUTLIER -76.63 137.75 66.9 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 99.989999999999995 109.312 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 111.68 3.38 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.578 1.831 . . . . 99.989999999999995 111.043 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.15 -10.43 5.36 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.14 . . . . 99.989999999999995 110.987 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 74.6 t -95.26 134.92 30.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 0.748 . . . . 99.989999999999995 109.363 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.456 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.5 OUTLIER -85.22 -57.38 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 111.044 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.0 m -150.94 166.89 29.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 109.914 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.466 ' H ' ' CD2' ' A' ' 28' ' ' HIS . 30.7 p -140.32 136.69 33.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 110.431 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.455 ' HB2' ' CG ' ' A' ' 97' ' ' ARG . . . -121.96 144.01 49.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.279 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -111.1 139.97 46.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 99.989999999999995 109.28 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 95' ' ' ALA . . . -172.13 -155.94 11.71 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.577 1.173 . . . . 99.989999999999995 111.011 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.49 ' CD1' ' HG2' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -147.07 168.02 22.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 0.747 . . . . 99.989999999999995 110.968 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.9 t -173.17 168.63 4.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 110.457 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.63 -19.62 51.65 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 111.038 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.571 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -76.18 -171.79 32.86 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.028 -0.829 . . . . 99.989999999999995 111.028 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -115.13 -28.96 6.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 99.989999999999995 110.973 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.438 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 6.7 m -74.64 120.81 83.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.392 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 143.76 29.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.541 1.811 . . . . 99.989999999999995 110.959 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.435 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 34.2 m120 47.52 63.39 10.28 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 109.322 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.567 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.03 170.21 20.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.529 1.805 . . . . 99.989999999999995 111.005 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.405 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 56.9 m -117.2 163.0 16.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.375 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.632 ' CE1' ' CE1' ' A' ' 186' ' ' HIS . 36.8 t80 -61.96 -46.86 87.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 110.996 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -35.57 79.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 110.323 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -69.26 -45.23 70.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 110.296 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 81' ' ' THR . 72.6 t -57.99 -43.04 84.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 99.989999999999995 109.354 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.95 -32.2 65.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.997 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.21 -39.95 73.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 109.938 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.43 6.86 70.2 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.986 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.24 -0.61 46.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 99.989999999999995 109.283 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.1 p -89.1 -23.65 22.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 110.399 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.35 11.0 58.57 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.103 . . . . 99.989999999999995 111.001 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.571 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 48.4 m-70 -85.81 147.5 26.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 99.989999999999995 109.642 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -116.2 153.16 32.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.355 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -69.95 111.44 5.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.301 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 71' ' ' GLY . . . -131.88 156.68 45.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 99.989999999999995 109.354 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.8 m -143.92 140.13 25.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.348 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.475 ' CD ' ' CD1' ' A' ' 179' ' ' PHE . 10.4 ptm180 -109.55 124.65 51.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 110.323 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.548 HG12 ' CD2' ' A' ' 59' ' ' PHE . 3.3 mp -116.28 134.44 59.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 109.363 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 61.3 t -108.59 106.13 20.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.299 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -121.83 178.79 4.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 111.028 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.84 125.94 31.95 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -3.72 14.34 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 99.989999999999995 110.991 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.12 -21.51 17.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.009 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.0 t -104.59 -33.24 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.348 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.526 ' CD1' ' O ' ' A' ' 106' ' ' SER . 0.2 OUTLIER -145.5 131.91 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.157 . . . . 99.989999999999995 109.272 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.526 ' O ' ' CD1' ' A' ' 105' ' ' ILE . 9.9 p -92.21 161.37 14.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 110.045 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.625 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 2.3 p90 -68.8 -32.99 73.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.961 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.625 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -57.0 -47.62 80.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 110.308 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -59.84 -32.55 70.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.301 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.6 mt -73.98 -31.55 63.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 109.3 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.69 -49.86 74.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 99.989999999999995 109.274 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.487 ' HG3' ' N ' ' A' ' 113' ' ' VAL . 0.1 OUTLIER -64.01 -34.2 77.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.307 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.487 ' N ' ' HG3' ' A' ' 112' ' ' GLN . 2.2 t -61.44 -52.4 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.339 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 118' ' ' HIS . 16.1 m-30 -55.61 -48.73 74.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.972 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.522 ' HB3' ' CE1' ' A' ' 156' ' ' PHE . 63.5 m95 -64.26 -15.49 60.23 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.959 -1.126 . . . . 99.989999999999995 107.959 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.14 -32.5 17.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.33 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -98.76 0.05 43.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.296 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -77.74 164.43 25.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.614 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.527 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 0.2 OUTLIER -113.44 152.53 45.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 160.77 39.58 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.531 1.806 . . . . 99.989999999999995 111.027 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.271 -179.928 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.301 -0.259 . . . . 99.989999999999995 110.301 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -128.96 126.24 39.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 99.989999999999995 111.02 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -145.42 108.86 4.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.616 1.197 . . . . 99.989999999999995 110.302 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.65 98.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 99.989999999999995 110.032 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -135.91 164.42 28.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 99.989999999999995 109.372 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 81.3 mt -124.01 135.09 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.297 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -130.42 77.38 76.12 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 111.017 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.472 ' O ' ' CB ' ' A' ' 176' ' ' ALA . 18.2 Cg_endo -74.91 168.14 25.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.557 1.819 . . . . 99.989999999999995 111.015 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -101.18 -46.1 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.338 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.406 HG21 ' NE2' ' A' ' 145' ' ' GLN . 4.9 p -87.96 161.26 44.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.391 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -35.33 3.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 99.989999999999995 110.979 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.41 -36.32 71.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 99.989999999999995 110.278 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.515 ' HG2' ' CG ' ' A' ' 107' ' ' TYR . 34.3 mt-30 -73.84 -39.7 63.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 110.33 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.59 -42.91 77.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.407 1.067 . . . . 99.989999999999995 109.26 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -68.22 -34.8 76.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 99.989999999999995 109.294 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -75.62 -41.25 54.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.393 1.058 . . . . 99.989999999999995 109.331 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.8 -59.2 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 99.989999999999995 109.259 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.493 ' HG3' ' N ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -55.86 -27.09 50.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 110.314 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . 0.493 ' N ' ' HG3' ' A' ' 150' ' ' ARG . . . -70.59 -45.54 65.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 99.989999999999995 109.27 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 79.8 p -69.44 -43.3 73.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.037 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . 0.457 ' C ' ' CD2' ' A' ' 153' ' ' LEU . 3.9 tt -59.12 -51.07 71.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 99.989999999999995 109.327 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -60.06 -20.87 60.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 99.989999999999995 110.282 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.95 -58.61 2.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 110.226 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 115' ' ' TRP . 4.5 t80 -53.19 -38.09 62.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 99.989999999999995 110.999 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 160' ' ' MET . 5.3 tt0 -64.11 -48.42 76.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 99.989999999999995 110.286 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.6 -30.27 65.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 99.989999999999995 109.315 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.27 -48.25 78.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.28 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' MET . . . . . 0.589 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 6.9 ptm -67.16 -31.03 71.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 110.937 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.589 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -65.75 -35.79 81.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.348 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.03 -18.03 63.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 109.263 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -77.56 -4.1 44.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.341 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.1 t70 79.38 32.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.324 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -109.14 123.98 50.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.292 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 168' ' ' HIS . 0.3 OUTLIER -77.32 -38.54 50.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.343 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.16 82.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 99.989999999999995 110.305 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 166' ' ' ASP . 4.6 p-80 -73.41 147.68 44.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.568 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.29 127.06 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 20.8 m -91.06 49.67 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 110.454 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 95.0 m -85.71 132.17 34.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 110.357 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -122.07 140.92 51.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 110.238 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 13.5 mt -114.17 122.33 68.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 109.32 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -129.7 166.51 19.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 109.328 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -53.38 165.1 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.285 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 140' ' ' PRO . . . -81.46 84.9 6.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.307 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 18.4 p -65.32 164.82 21.02 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 110.394 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 115.89 4.42 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.539 1.81 . . . . 99.989999999999995 110.973 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.566 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -77.88 143.18 37.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 110.996 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -119.38 107.56 13.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 99.989999999999995 110.954 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . 0.546 ' HA ' ' CZ ' ' A' ' 179' ' ' PHE . 28.9 m-85 -38.14 157.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 110.964 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 183' ' ' GLU . . . -118.6 174.9 5.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.303 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . 0.551 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 1.4 tp10 -37.76 130.93 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 99.989999999999995 110.311 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -52.94 -23.28 6.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 109.351 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.85 -43.64 83.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.314 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . 0.632 ' CE1' ' CE1' ' A' ' 82' ' ' TYR . 89.3 m-70 -62.52 -33.51 75.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.633 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -52.74 110.59 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 99.989999999999995 110.302 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.505 ' OE1' ' CB ' ' A' ' 29' ' ' ALA . 3.4 mp0 50.24 58.91 4.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 110.318 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.747 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 7.0 t80 -85.45 -25.66 26.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 111.023 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.43 -46.79 25.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 99.989999999999995 109.32 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -31.66 65.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 109.589 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -65.98 -35.67 81.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 109.295 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.4 OUTLIER -140.08 105.33 6.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 109.277 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.555 1.818 . . . . 99.989999999999995 111.003 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 111.02 -0.415 . . . . 99.989999999999995 111.02 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -70.61 142.65 89.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 110.98 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 140.13 24.94 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 99.989999999999995 111.017 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.461 HG21 ' CB ' ' A' ' 181' ' ' TYR . 85.8 t -134.74 140.5 45.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.339 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.81 164.69 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.319 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' MET . 7.3 m -91.94 -44.52 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 110.437 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.452 ' CD1' ' HA ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -110.6 137.76 47.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.281 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.583 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 17.6 t-80 -52.67 156.53 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 99.989999999999995 109.584 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.474 ' CB ' ' OE1' ' A' ' 188' ' ' GLN . . . -86.1 -24.57 26.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.061 . . . . 99.989999999999995 109.253 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.621 HG13 ' CE2' ' A' ' 60' ' ' TRP . 41.4 t -95.27 -69.27 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.1 . . . . 99.989999999999995 109.283 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 0.5 OUTLIER -56.2 -39.89 73.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.273 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 78.06 18.49 76.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 111.04 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -118.79 171.33 8.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.559 0.799 . . . . 99.989999999999995 109.613 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.452 ' HA ' ' CD1' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -38.73 149.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.968 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' THR . 27.1 mmm -98.58 -64.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 111.031 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.401 HG21 ' N ' ' A' ' 37' ' ' ASN . 8.2 t -77.84 -32.67 52.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.409 1.068 . . . . 99.989999999999995 110.431 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.434 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.3 OUTLIER -61.85 128.99 38.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.31 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.417 ' CG1' ' HB3' ' A' ' 42' ' ' MET . 72.0 t -127.54 113.58 21.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 109.327 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 139.78 24.85 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.557 1.819 . . . . 99.989999999999995 111.03 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -43.66 128.39 5.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.267 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.33 -10.62 31.05 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.493 1.12 . . . . 99.989999999999995 110.952 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.574 ' HE2' ' CD1' ' A' ' 66' ' ' TYR . 31.7 tpp -104.72 147.35 27.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.762 . . . . 99.989999999999995 111.034 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -128.49 158.98 36.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 99.989999999999995 110.282 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mt -114.63 157.52 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.329 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -150.61 135.21 17.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.338 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 37.8 mt -103.99 131.65 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 109.293 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 114' ' ' PHE . 30.2 m-85 -143.72 149.53 37.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 111.002 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -132.64 120.25 21.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.164 . . . . 99.989999999999995 109.295 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.596 ' SD ' ' CZ ' ' A' ' 114' ' ' PHE . 0.2 OUTLIER -129.61 -172.25 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 111.03 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -63.34 -70.85 0.95 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 110.983 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.5 m -63.71 178.22 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.315 -0.994 . . . . 99.989999999999995 108.315 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.484 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -129.04 -63.65 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.968 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.591 ' CE3' ' CD1' ' A' ' 189' ' ' TYR . 2.0 m0 -73.87 -36.86 64.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 108.021 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.1 -45.57 91.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.984 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.7 t -54.2 -62.48 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.773 . . . . 99.989999999999995 109.327 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.79 -35.14 77.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 99.989999999999995 110.247 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.516 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 2.3 ttt-85 -65.69 -30.91 71.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 99.989999999999995 110.316 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.99 -20.47 56.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 99.989999999999995 109.306 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.698 ' CZ ' ' CG2' ' A' ' 98' ' ' ILE . 14.8 t80 -83.93 -58.3 2.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 111.021 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.621 ' CE2' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -53.9 -51.46 63.64 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.999 -1.111 . . . . 99.989999999999995 107.999 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.536 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 6.7 mm100 -53.55 -18.41 2.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 110.325 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.433 ' HB3' ' O ' ' A' ' 59' ' ' PHE . 7.3 tt -84.61 137.11 38.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 109.286 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.433 ' HD2' ' HG ' ' A' ' 62' ' ' LEU . 18.3 Cg_endo -74.97 107.91 2.59 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.434 1.755 . . . . 99.989999999999995 110.95 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.424 ' HA3' ' HB ' ' A' ' 105' ' ' ILE . . . 141.03 -12.04 2.84 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.601 1.188 . . . . 99.989999999999995 110.989 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.618 HG21 ' CD2' ' A' ' 59' ' ' PHE . 77.2 t -87.38 135.21 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 99.989999999999995 109.272 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.574 ' CD1' ' HE2' ' A' ' 42' ' ' MET . 3.1 t80 -89.31 -46.13 8.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 1.082 . . . . 99.989999999999995 111.014 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.3 p -159.66 168.02 27.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.063 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.459 ' H ' ' CD2' ' A' ' 28' ' ' HIS . 10.6 p -149.0 140.45 23.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 99.989999999999995 110.396 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 97' ' ' ARG . . . -137.27 159.97 40.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 99.989999999999995 109.307 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 182' ' ' ALA . . . -123.09 139.62 53.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 99.989999999999995 109.279 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -162.7 -165.79 20.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 110.994 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -130.73 159.41 37.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 99.989999999999995 111.001 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.7 t -175.75 165.62 3.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.387 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.31 -17.55 56.73 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 110.954 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.534 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -88.65 -174.38 47.08 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.974 -0.85 . . . . 99.989999999999995 110.974 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -113.61 -21.45 10.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 99.989999999999995 110.972 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.443 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 1.4 m -75.3 117.7 65.14 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 99.989999999999995 110.354 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 147.53 33.8 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.526 1.803 . . . . 99.989999999999995 110.999 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.43 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 81.6 m-20 45.56 63.95 8.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 99.989999999999995 109.319 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.2 Cg_endo -74.98 164.16 33.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 99.989999999999995 110.995 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.0 m -113.29 153.33 28.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.422 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -53.86 -43.87 69.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 110.949 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.11 -42.64 75.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.37 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -65.58 -44.23 87.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 99.989999999999995 110.264 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.7 t -59.09 -38.0 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 99.989999999999995 109.339 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.3 p -70.89 -32.08 68.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.069 . . . . 99.989999999999995 110.05 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 73.5 m -62.19 -37.67 86.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.992 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.99 12.72 61.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.591 1.182 . . . . 99.989999999999995 110.976 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.52 9.16 35.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 0.751 . . . . 99.989999999999995 109.268 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.3 p -113.17 -25.15 9.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 110.428 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.26 22.39 72.73 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.562 1.164 . . . . 99.989999999999995 110.965 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.534 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 23.6 m-70 -91.17 156.38 17.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 0.761 . . . . 99.989999999999995 109.613 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -115.6 153.54 31.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 99.989999999999995 109.289 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.409 ' OE1' ' O ' ' A' ' 49' ' ' MET . 0.0 OUTLIER -77.6 109.95 12.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 110.284 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -123.32 163.22 21.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.341 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 19.2 m -140.67 160.4 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.071 . . . . 99.989999999999995 109.285 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 179' ' ' PHE . 24.8 ttp180 -99.63 127.77 45.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.283 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.698 ' CG2' ' CZ ' ' A' ' 59' ' ' PHE . 0.8 OUTLIER -115.65 117.87 56.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.367 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.489 HG13 ' CG ' ' A' ' 42' ' ' MET . 15.4 t -119.97 106.15 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 109.268 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.458 ' CD2' HD13 ' A' ' 110' ' ' LEU . 47.4 p90 -133.68 173.96 10.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 110.995 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.465 ' C ' ' H ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -117.23 130.07 24.89 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.329 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.0 Cg_endo -75.03 18.43 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.788 . . . . 99.989999999999995 110.991 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.465 ' H ' ' C ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -103.96 -29.19 11.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 99.989999999999995 109.997 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 68.8 t -109.56 -30.17 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 109.256 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.495 ' CD1' ' HB2' ' A' ' 109' ' ' GLN . 0.1 OUTLIER -145.65 130.84 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 109.306 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.425 ' N ' HD12 ' A' ' 105' ' ' ILE . 1.4 p -86.68 164.32 16.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 110.007 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.616 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 36.0 p90 -71.36 -45.47 62.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 99.989999999999995 111.045 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.616 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 3.4 pt-20 -52.57 -29.36 25.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.07 . . . . 99.989999999999995 110.331 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.495 ' HB2' ' CD1' ' A' ' 105' ' ' ILE . 40.8 mt-30 -71.46 -42.08 68.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 110.316 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.458 HD13 ' CD2' ' A' ' 100' ' ' TYR . 38.2 mt -52.59 -52.89 53.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 109.242 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.6 mt -52.82 -42.14 64.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.332 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.75 -49.47 65.42 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 110.312 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.85 -48.39 64.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 99.989999999999995 109.297 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.596 ' CZ ' ' SD ' ' A' ' 49' ' ' MET . 3.5 t80 -53.94 -48.96 69.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 110.978 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . 0.441 ' CE3' ' CE2' ' A' ' 156' ' ' PHE . 42.6 m95 -64.68 -21.83 66.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 108.044 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -83.91 -35.99 23.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 110.321 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -92.85 2.03 56.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.29 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.58 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -75.53 168.19 20.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 99.989999999999995 109.615 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.58 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 19.2 m-20 -109.91 151.23 42.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.311 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 158.71 42.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 99.989999999999995 111.007 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.295 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 110.27 -0.27 . . . . 99.989999999999995 110.27 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' TYR . . . . . 0.489 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 35.2 p90 -121.01 127.78 52.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 111.022 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -141.58 150.17 41.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 110.212 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.43 92.32 7.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 110.041 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.55 ' HB3' ' CE1' ' A' ' 139' ' ' TYR . . . -127.37 159.25 35.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.28 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.433 HG23 ' CE2' ' A' ' 47' ' ' PHE . 14.0 mt -120.57 135.26 61.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 99.989999999999995 109.371 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.55 ' CE1' ' HB3' ' A' ' 137' ' ' ALA . 31.2 m-85 -129.9 77.79 76.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 99.989999999999995 111.034 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 161.9 37.84 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.49 1.784 . . . . 99.989999999999995 110.95 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 10.9 tp -109.51 -54.94 2.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 99.989999999999995 109.312 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.1 p -69.97 161.26 76.45 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 110.411 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -41.0 0.73 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.511 1.795 . . . . 99.989999999999995 111.054 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -61.77 -34.06 75.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.365 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -70.77 -41.82 71.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 110.287 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -40.84 97.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 99.989999999999995 109.349 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.25 -38.72 78.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.266 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.43 -45.81 65.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 109.31 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.48 -56.54 19.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 109.336 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.21 -31.36 72.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 110.29 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -64.28 -39.08 93.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 109.281 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 22.1 p -73.94 -36.59 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.02 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 4.6 tt -59.45 -52.4 65.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.336 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -57.67 -32.8 67.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.287 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -35.8 46.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 99.989999999999995 110.304 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.441 ' CE2' ' CE3' ' A' ' 115' ' ' TRP . 22.5 t80 -70.4 -52.22 23.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 110.953 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -63.24 -35.71 81.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 99.989999999999995 110.311 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.0 -43.75 82.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 109.303 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.51 -44.75 86.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.586 1.179 . . . . 99.989999999999995 109.353 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 7.1 ttp -60.16 -47.83 84.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 111.049 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -34.97 79.25 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.32 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.77 -18.86 63.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.592 1.183 . . . . 99.989999999999995 109.28 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -83.53 -6.54 59.48 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.401 1.063 . . . . 99.989999999999995 109.308 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 1.1 t70 81.97 30.4 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 99.989999999999995 109.273 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -103.06 122.69 45.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.321 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.36 12.67 15.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.414 1.072 . . . . 99.989999999999995 109.365 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.07 72.7 9.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.345 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 134.26 54.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 109.562 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.2 mp -75.08 139.37 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 99.989999999999995 109.297 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 78.9 m -97.59 35.57 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 110.395 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 2.6 t -78.39 132.71 37.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 110.448 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -118.86 140.5 49.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 110.286 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 76.4 mt -108.74 122.67 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.307 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -134.99 167.11 21.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.31 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 177' ' ' THR . 9.0 p-10 -60.61 150.6 31.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 99.989999999999995 109.284 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.72 75.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 99.989999999999995 109.308 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 175' ' ' ASN . 0.5 OUTLIER -61.74 160.29 28.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.42 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 108.5 2.73 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.471 1.774 . . . . 99.989999999999995 111.004 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 1.3 p90 -93.99 144.68 25.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 111.007 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' TYR . . . . . 0.407 ' O ' ' O ' ' A' ' 181' ' ' TYR . 20.2 m-85 -93.3 119.23 32.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 111.027 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' TYR . . . . . 0.461 ' CB ' HG21 ' A' ' 24' ' ' VAL . 77.8 m-85 -46.68 174.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 110.972 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 182' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -126.78 170.33 12.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 109.3 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 183' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 182' ' ' ALA . 1.9 mm-40 -38.1 132.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.328 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -52.86 -22.86 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 99.989999999999995 109.322 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.92 -45.01 87.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.334 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -60.8 -46.18 91.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 109.525 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.6 115.43 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 110.307 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 188' ' ' GLN . . . . . 0.583 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 4.9 mp0 53.37 54.65 9.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 110.329 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 189' ' ' TYR . . . . . 0.591 ' CD1' ' CE3' ' A' ' 53' ' ' TRP . 29.3 t80 -85.48 -28.27 25.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 111.014 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.418 ' HB3' ' CD ' ' A' ' 57' ' ' ARG . 0.6 OUTLIER -76.85 -46.47 24.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 109.249 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 191' ' ' HIS . . . . . 0.4 ' CD2' ' HB3' ' A' ' 188' ' ' GLN . 0.0 OUTLIER -56.4 -28.68 60.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.113 . . . . 99.989999999999995 109.519 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -40.55 96.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 99.989999999999995 109.249 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 193' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -140.39 119.97 8.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.266 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.236 0 O-C-N 124.414 1.744 . . . . 99.989999999999995 111.012 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.036 -0.357 . . . . 99.989999999999995 110.036 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.501 ' C ' ' CD2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -63.09 143.25 57.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.35 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -135.01 155.87 50.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 110.984 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -61.68 91.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 109.268 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -118.93 148.33 43.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.28 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.14 56.49 3.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -119.79 -49.72 2.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 109.562 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.521 ' C ' ' CD1' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -68.83 157.51 36.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 99.989999999999995 109.277 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.476 ' N ' HD23 ' A' ' 8' ' ' LEU . 6.6 p -49.04 143.63 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.327 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.84 165.98 48.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.981 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -21.76 15.44 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.51 1.795 . . . . 99.989999999999995 110.984 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.1 -23.77 51.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 99.989999999999995 109.259 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.446 ' HB3' ' CG2' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -92.7 -36.5 12.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.296 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.13 81.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 99.989999999999995 109.285 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.22 160.17 27.81 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.32 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 100.18 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 99.989999999999995 111.009 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.83 -70.19 1.04 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.445 1.091 . . . . 99.989999999999995 111.005 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.2 mtt-85 -128.91 144.21 51.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 0.793 . . . . 99.989999999999995 110.323 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 76.0 m-80 -100.04 25.7 7.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.334 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.1 p -117.79 111.17 39.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.404 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 142.08 27.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 99.989999999999995 110.998 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.66 146.33 93.51 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 111.037 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 134.66 18.05 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.52 1.8 . . . . 99.989999999999995 110.971 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.2 t -131.69 132.78 62.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 109.268 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 156.7 6.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.298 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 35' ' ' MET . 55.3 m -81.52 -45.2 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 110.393 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.67 138.95 35.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.303 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.553 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 22.7 t-80 -55.13 157.51 3.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.588 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.476 ' CB ' ' CD ' ' A' ' 188' ' ' GLN . . . -84.0 -27.36 28.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 109.281 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.593 HG13 ' CE2' ' A' ' 60' ' ' TRP . 54.9 t -95.55 -67.58 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.307 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -54.75 -38.99 67.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.329 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.9 15.28 81.78 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 110.967 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.85 171.0 8.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 99.989999999999995 109.574 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.25 140.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 110.014 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.458 ' O ' ' NH2' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -93.51 -51.55 4.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 99.989999999999995 110.961 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -85.1 -46.31 11.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 99.989999999999995 110.395 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.89 126.45 24.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 109.287 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.409 ' CG2' HD11 ' A' ' 44' ' ' ILE . 6.4 t -118.96 117.23 33.8 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.285 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 146.26 32.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 99.989999999999995 110.999 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.57 131.62 43.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.28 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.36 1.3 37.97 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 111.017 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.514 ' HE3' ' CD1' ' A' ' 66' ' ' TYR . 79.2 mmm -114.68 160.66 19.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 0.735 . . . . 99.989999999999995 111.033 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.6 157.46 46.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 110.281 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.409 HD11 ' CG2' ' A' ' 38' ' ' VAL . 2.3 mp -113.41 156.99 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -154.63 130.87 10.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 99.989999999999995 109.319 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 47' ' ' PHE . 7.7 mt -104.61 138.88 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.297 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.492 ' CE2' HG23 ' A' ' 138' ' ' ILE . 34.7 m-85 -153.65 144.17 22.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.984 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -125.06 127.64 47.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.29 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.42 179.76 5.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 99.989999999999995 111.023 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.75 -79.99 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 111.001 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.87 178.34 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.279 -1.008 . . . . 99.989999999999995 108.279 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER -136.38 -49.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 110.987 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.631 ' CZ3' ' CE1' ' A' ' 189' ' ' TYR . 25.0 m0 -72.78 -37.06 67.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 107.999 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.484 ' O ' ' CB ' ' A' ' 58' ' ' LEU . . . -79.19 -28.65 52.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.963 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.3 t -73.49 -50.8 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 99.989999999999995 109.318 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 11.3 pt-20 -55.69 -52.15 64.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 110.323 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -68.76 -23.84 64.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.328 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.484 ' CB ' ' O ' ' A' ' 54' ' ' GLY . 2.6 tp -66.39 -28.33 68.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 99.989999999999995 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.576 ' CE2' HD13 ' A' ' 98' ' ' ILE . 23.6 m-85 -78.45 -52.26 8.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 110.98 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.593 ' CE2' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -61.88 -55.92 24.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 99.989999999999995 108.0 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.518 ' N ' ' CG ' ' A' ' 60' ' ' TRP . 2.2 mt-30 -47.99 -23.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 110.306 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.5 tt -77.54 135.81 64.5 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.323 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 106.29 2.25 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.515 1.797 . . . . 99.989999999999995 110.974 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.435 ' HA2' ' CG1' ' A' ' 104' ' ' VAL . . . 142.02 -17.84 2.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.105 . . . . 99.989999999999995 111.001 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.42 HG11 ' CG2' ' A' ' 68' ' ' THR . 17.0 t -92.52 130.81 41.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 0.777 . . . . 99.989999999999995 109.319 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.514 ' CD1' ' HE3' ' A' ' 42' ' ' MET . 1.6 t80 -80.66 -56.86 3.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.971 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.9 m -150.41 163.59 37.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 110.008 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.435 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 36.1 p -148.8 167.0 26.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 99.989999999999995 110.399 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.11 153.44 32.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 109.303 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -106.8 140.2 40.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 109.283 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -167.94 -168.02 29.44 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 111.029 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -132.77 164.82 25.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 0.804 . . . . 99.989999999999995 111.006 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 74' ' ' GLY . 1.3 t -170.2 171.17 6.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 110.457 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.406 ' N ' ' OG1' ' A' ' 73' ' ' THR . . . 94.51 -20.17 49.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.145 . . . . 99.989999999999995 111.009 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.502 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -82.39 -177.56 51.96 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.024 -0.83 . . . . 99.989999999999995 111.024 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -114.56 -22.29 9.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 99.989999999999995 110.984 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.4 m -74.77 125.37 89.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 110.384 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 154.7 42.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.776 . . . . 99.989999999999995 110.962 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.404 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 20.7 m-80 45.43 64.82 7.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.327 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.5 Cg_endo -74.95 137.75 22.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.538 1.809 . . . . 99.989999999999995 111.036 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.504 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 2.3 m -111.68 155.04 24.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 110.39 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -63.35 -28.77 70.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 99.989999999999995 111.009 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.86 -52.0 28.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 110.291 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -73.8 -44.61 55.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 110.333 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 81' ' ' THR . 47.2 t -53.5 -37.94 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 109.361 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.2 t -59.89 -23.81 63.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.001 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.7 m -71.85 -39.59 69.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.99 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.417 ' HA2' ' NE2' ' A' ' 133' ' ' GLN . . . 92.22 8.89 62.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 110.989 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.29 12.07 14.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 99.989999999999995 109.33 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.4 p -111.27 -24.54 10.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.387 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.408 ' CA ' HG12 ' A' ' 9' ' ' VAL . . . 72.07 6.08 63.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 111.042 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.502 ' CG ' ' HA3' ' A' ' 75' ' ' GLY . 31.7 m-70 -73.17 158.25 35.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 99.989999999999995 109.575 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -127.81 162.08 27.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 99.989999999999995 109.289 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 15.3 pt-20 -71.59 135.08 46.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 110.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -161.37 150.04 15.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.324 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.4 m -138.56 155.35 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.336 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.458 ' NH2' ' O ' ' A' ' 35' ' ' MET . 50.1 ttp180 -97.49 139.41 33.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 110.29 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.576 HD13 ' CE2' ' A' ' 59' ' ' PHE . 4.6 mp -126.28 119.1 53.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 66' ' ' TYR . 59.0 t -113.03 99.48 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.534 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 39.3 p90 -124.52 177.09 6.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.985 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.24 137.86 20.71 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.286 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -3.04 13.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.534 1.807 . . . . 99.989999999999995 110.981 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t -92.92 -19.29 21.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.99 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.435 ' CG1' ' HA2' ' A' ' 64' ' ' GLY . 92.2 t -109.67 -46.83 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 109.274 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.425 HD11 ' CB ' ' A' ' 109' ' ' GLN . 1.8 tp -132.83 139.52 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.297 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.6 p -107.28 166.25 10.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.992 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -59.86 -33.1 71.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 111.022 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -67.93 -42.81 80.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.318 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.425 ' CB ' HD11 ' A' ' 105' ' ' ILE . 68.4 mt-30 -62.84 -43.55 98.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.534 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 27.0 mt -61.54 -40.89 96.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.288 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.2 mt -64.35 -42.81 96.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.304 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.62 -47.05 73.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 110.318 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.49 -46.55 86.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.285 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -51.98 -52.82 47.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.996 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 44.0 m95 -62.82 -23.72 67.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 107.997 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -32.76 59.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 110.316 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -101.65 4.26 40.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -78.47 163.49 25.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.567 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.64 159.57 28.89 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 109.29 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.26 41.59 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.482 1.78 . . . . 99.989999999999995 111.007 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -85.1 128.1 34.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 99.989999999999995 109.263 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.403 ' CD ' ' O ' ' A' ' 206' ' ' SER . 1.0 OUTLIER -116.63 -7.41 11.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 110.293 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 74.83 29.73 60.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.523 1.14 . . . . 99.989999999999995 111.025 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.9 ttt -41.32 121.64 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 99.989999999999995 110.97 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.62 170.15 10.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 110.272 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -80.9 150.52 29.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 110.275 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -176.28 -123.5 0.77 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 110.963 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -83.58 159.99 21.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 0.776 . . . . 99.989999999999995 109.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.78 103.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.312 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -143.43 94.11 2.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.568 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 61.82 31.0 76.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 110.997 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 3.0 p -74.97 -32.62 61.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 99.989999999999995 110.376 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.417 ' NE2' ' HA2' ' A' ' 88' ' ' GLY . 2.3 tp60 -72.09 -27.39 62.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 99.989999999999995 110.342 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -109.97 125.38 52.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.986 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -150.01 173.05 14.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 110.275 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 77.5 p -100.23 110.42 22.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 110.004 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -133.65 160.33 37.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.33 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.492 HG23 ' CE2' ' A' ' 47' ' ' PHE . 5.7 mt -120.87 126.78 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.303 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -121.91 82.12 42.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 111.008 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.415 ' CB ' ' HG3' ' A' ' 145' ' ' GLN . 18.3 Cg_endo -75.0 167.49 26.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.493 1.786 . . . . 99.989999999999995 111.005 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -115.7 -46.91 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 109.287 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 4.1 p -91.82 161.78 32.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 110.426 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -35.13 3.31 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.488 1.783 . . . . 99.989999999999995 110.985 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -55.42 -51.19 67.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 110.297 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.415 ' HG3' ' CB ' ' A' ' 140' ' ' PRO . 9.9 pt20 -70.57 -36.3 73.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 110.278 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.64 -48.07 75.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.308 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -72.74 -36.69 67.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 99.989999999999995 109.276 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.65 -48.88 78.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.283 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.36 -50.25 72.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 109.305 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -37.09 85.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 99.989999999999995 110.305 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.08 -43.51 78.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.298 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 18.4 p -70.93 -40.35 72.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.026 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.502 ' C ' ' CD2' ' A' ' 153' ' ' LEU . 2.7 tt -60.74 -52.49 64.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 99.989999999999995 109.307 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -61.91 -38.12 87.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.321 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -52.66 47.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 110.338 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -62.72 -40.06 96.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 111.026 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.452 ' O ' ' CG ' ' A' ' 160' ' ' MET . 17.7 tt0 -62.93 -44.88 94.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 110.316 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.38 -32.12 68.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.319 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.11 -48.66 77.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 109.292 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.49 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 4.7 ptm -68.03 -32.69 73.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 111.008 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.49 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -65.85 -38.83 89.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.363 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.48 -19.06 65.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.272 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -90.4 -9.4 47.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.336 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.6 OUTLIER 81.74 34.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.34 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.46 118.11 35.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.312 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.05 11.61 13.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.273 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.22 71.17 3.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.333 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 36.4 p-80 -52.22 148.13 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.613 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.55 142.78 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.286 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 66.5 p -94.76 2.07 55.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 110.44 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.93 133.56 44.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 110.387 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -118.97 128.05 54.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 99.989999999999995 110.258 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 16.4 mt -109.33 121.09 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.221 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -147.05 165.35 30.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 109.266 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -42.84 163.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.327 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -87.1 87.27 7.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 109.307 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 4.0 p -59.53 162.7 8.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 110.386 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.16 5.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 99.989999999999995 110.992 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.558 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -79.0 141.19 37.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 110.98 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . 0.4 ' O ' ' O ' ' A' ' 181' ' ' TYR . 19.8 m-85 -119.99 108.98 14.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 110.96 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 179' ' ' PHE . 26.5 m-85 -36.89 155.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.973 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 183' ' ' GLU . . . -118.32 174.79 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.571 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 0.4 OUTLIER -38.35 130.44 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 99.989999999999995 110.329 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.1 -23.11 2.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 99.989999999999995 109.29 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.45 -33.42 60.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.263 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . 0.571 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 63.1 m-70 -69.51 -46.04 67.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.6 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . 0.612 ' O ' ' HG2' ' A' ' 188' ' ' GLN . 36.7 mm-40 -44.94 122.75 3.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 110.295 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.612 ' HG2' ' O ' ' A' ' 187' ' ' GLN . 0.0 OUTLIER 36.18 60.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.421 1.076 . . . . 99.989999999999995 110.309 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.631 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 10.8 t80 -84.41 -25.59 28.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 111.029 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -46.2 67.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -29.08 65.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 109.563 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -66.38 -37.36 85.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.29 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.23 107.14 7.29 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 109.319 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -12.05 21.58 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.504 1.792 . . . . 99.989999999999995 111.021 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -96.59 3.5 52.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 99.989999999999995 110.994 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -102.91 61.04 0.49 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 111.044 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -75.45 144.93 41.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.785 . . . . 99.989999999999995 110.986 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 17.0 p -101.23 -52.15 3.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 108.295 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 125.45 139.76 5.25 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 111.009 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 3.5 mm -101.23 -60.97 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.43 0.724 . . . . 99.989999999999995 109.332 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -79.84 97.97 1.66 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 111.012 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.0 68.17 0.29 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.98 -0.848 . . . . 99.989999999999995 110.98 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.8 tt -83.99 155.37 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.754 . . . . 99.989999999999995 109.321 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -70.57 -175.34 18.35 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 111.021 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 29.4 t -92.22 -12.93 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 99.989999999999995 109.276 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' SER . . . . . 0.403 ' O ' ' CD ' ' A' ' 122' ' ' GLN . 1.4 m -45.07 128.63 7.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 110.029 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 6.4 mt -97.33 152.47 38.26 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.31 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 122.48 7.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 99.989999999999995 110.977 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -170.37 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 99.989999999999995 111.085 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -58.44 3.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.256 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 109.3 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.1 p . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.023 -0.362 . . . . 99.989999999999995 110.023 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.33 123.62 27.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.258 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 3' ' ' PHE . 53.9 p90 -77.36 123.19 26.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 111.049 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -125.57 126.02 44.12 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 109.308 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.33 64.61 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.304 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.46 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 6.1 mtpt -100.46 123.62 44.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.327 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.46 ' CD2' ' O ' ' A' ' 6' ' ' LYS . 23.8 m80 -148.02 87.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.586 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -150.63 161.45 42.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.258 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 91' ' ' GLY . 4.2 p -51.09 152.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 109.284 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.1 p -76.1 157.55 83.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.968 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -16.54 20.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 99.989999999999995 110.987 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.1 -28.86 63.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.298 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.17 -35.85 12.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 109.321 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.56 79.28 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.304 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.05 159.85 28.73 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 99.989999999999995 109.323 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 106.59 2.3 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.465 1.771 . . . . 99.989999999999995 111.05 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.55 -33.23 31.75 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.398 1.061 . . . . 99.989999999999995 111.045 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.18 138.83 53.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 99.989999999999995 110.327 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -96.29 -40.88 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 99.989999999999995 109.216 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.479 ' CG2' ' HD2' ' A' ' 21' ' ' PRO . 8.4 m -94.06 145.5 29.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 110.36 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 20' ' ' THR . 18.1 Cg_endo -75.01 153.3 41.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 99.989999999999995 111.0 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.33 148.77 88.66 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 99.989999999999995 111.057 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 132.05 14.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.779 . . . . 99.989999999999995 111.005 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.571 HG11 ' CD1' ' A' ' 181' ' ' TYR . 5.4 t -129.48 131.55 67.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.361 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.14 160.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.279 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 m -89.4 -42.99 11.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 110.397 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.4 ' N ' HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -106.77 139.87 40.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.292 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.591 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 17.1 t-80 -50.04 150.57 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 109.637 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.08 -30.08 39.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.299 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.62 ' CG1' ' CE2' ' A' ' 60' ' ' TRP . 70.4 t -91.68 -66.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 109.276 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -54.13 -39.88 66.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 99.989999999999995 109.323 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.28 16.3 76.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.396 1.06 . . . . 99.989999999999995 111.005 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.505 ' CG ' ' N ' ' A' ' 34' ' ' SER . 9.8 t60 -131.12 164.12 26.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 99.989999999999995 109.617 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.505 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 78.0 p -47.2 132.1 12.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 110.058 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.6 ptm -98.6 -23.15 15.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 111.054 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.4 p -78.25 -51.82 9.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 99.989999999999995 110.443 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -54.53 127.01 25.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.253 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.4 t -118.54 105.07 46.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.256 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 142.92 28.68 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.472 1.775 . . . . 99.989999999999995 111.012 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.99 130.07 15.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 109.362 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.21 -15.86 30.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 111.037 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.543 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 0.7 OUTLIER -104.26 141.1 36.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.596 0.821 . . . . 99.989999999999995 111.003 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.69 162.4 22.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 110.306 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.445 HG23 ' CG ' ' A' ' 97' ' ' ARG . 2.7 mp -113.56 150.28 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.342 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -150.8 131.78 14.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 99.989999999999995 109.276 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.517 HG23 ' CG ' ' A' ' 139' ' ' TYR . 31.0 mt -102.41 138.74 25.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.26 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.428 ' N ' HG21 ' A' ' 46' ' ' ILE . 11.1 m-85 -149.99 148.01 28.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 111.028 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -128.45 130.05 47.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 99.989999999999995 109.291 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.538 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -132.53 171.16 14.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 110.937 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.81 -54.24 11.97 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 110.996 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.63 179.57 6.5 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.292 -1.003 . . . . 99.989999999999995 108.292 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.2 p90 -141.11 -44.91 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 99.989999999999995 110.98 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.585 ' CZ3' ' CE1' ' A' ' 189' ' ' TYR . 16.5 m0 -70.74 -45.21 65.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 108.042 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 58' ' ' LEU . . . -77.52 -34.31 40.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 111.016 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 69.1 t -71.7 -39.77 69.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 99.989999999999995 109.272 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.406 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 1.8 tt0 -64.86 -55.08 21.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 110.288 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -65.53 -24.99 67.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 110.277 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.457 ' CB ' ' O ' ' A' ' 54' ' ' GLY . 0.5 OUTLIER -67.79 -38.22 83.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.256 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.524 ' CG ' HG12 ' A' ' 98' ' ' ILE . 10.5 m-85 -63.44 -50.18 70.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 99.989999999999995 111.045 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.62 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -67.8 -54.99 14.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 108.033 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.52 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 2.8 mm-40 -48.24 -22.67 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 110.266 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.426 ' CD1' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -72.61 140.6 81.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 99.989999999999995 109.248 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.426 ' HD2' ' CD1' ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.03 113.61 3.83 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.45 1.763 . . . . 99.989999999999995 111.009 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.92 -23.95 4.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 111.018 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.5 t -87.95 129.53 39.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 99.989999999999995 109.314 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.543 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 0.2 OUTLIER -81.78 -57.44 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 111.019 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.554 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 3.4 m -153.37 166.8 31.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.978 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 61.8 p -137.93 171.0 15.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 110.436 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.576 ' HB2' ' CE1' ' A' ' 181' ' ' TYR . . . -146.59 121.57 10.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.456 1.097 . . . . 99.989999999999995 109.362 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.404 ' HA ' ' CG1' ' A' ' 96' ' ' VAL . . . -82.94 138.09 33.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.269 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -164.41 -166.67 23.72 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 111.047 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 72' ' ' TYR . 0.2 OUTLIER -131.94 163.39 28.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 0.802 . . . . 99.989999999999995 111.019 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.417 ' OG1' ' CG2' ' A' ' 177' ' ' THR . 13.9 t -171.06 162.69 7.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 110.43 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.12 -18.85 55.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 110.969 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.515 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -85.91 -178.5 50.08 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.991 -0.843 . . . . 99.989999999999995 110.991 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -114.54 -24.49 8.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 99.989999999999995 110.96 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.94 124.98 89.83 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 110.421 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 155.02 42.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.767 . . . . 99.989999999999995 111.041 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.4 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 1.0 OUTLIER 41.46 65.21 4.75 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.317 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.46 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.03 156.31 42.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.543 1.812 . . . . 99.989999999999995 111.025 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.9 m -113.36 155.37 25.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 110.388 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -56.33 -48.86 75.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 111.025 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -66.86 -35.62 80.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 99.989999999999995 110.343 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -67.41 -42.75 82.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 110.371 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.5 t -62.98 -38.95 83.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 109.339 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.4 m -60.77 -22.46 64.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.942 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.99 -39.58 69.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.043 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.73 11.29 65.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 111.018 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -88.99 -4.52 58.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 0.743 . . . . 99.989999999999995 109.279 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 p -102.78 -21.8 14.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 110.398 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.403 ' N ' HG12 ' A' ' 9' ' ' VAL . . . 65.53 10.94 51.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 111.041 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.515 ' CG ' ' HA3' ' A' ' 75' ' ' GLY . 31.3 m-70 -72.81 152.21 41.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 99.989999999999995 109.583 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -119.19 170.25 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.252 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -82.39 126.1 31.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 110.278 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -152.56 149.96 29.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 109.318 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.404 ' CG1' ' HA ' ' A' ' 70' ' ' ALA . 32.3 m -140.32 163.08 23.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 179' ' ' PHE . 47.4 ttp180 -101.26 142.94 31.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.176 . . . . 99.989999999999995 110.243 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.524 HG12 ' CG ' ' A' ' 59' ' ' PHE . 4.8 mp -126.58 116.57 45.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.3 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 35.8 t -109.13 99.82 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.259 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.451 ' CD1' HG23 ' A' ' 105' ' ' ILE . 30.4 p90 -129.95 176.78 7.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.593 1.183 . . . . 99.989999999999995 110.987 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.36 132.85 21.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.345 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 1.55 7.58 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.407 1.74 . . . . 99.989999999999995 110.975 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.85 -28.98 16.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.97 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.6 t -97.44 -50.4 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 109.278 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.451 HG23 ' CD1' ' A' ' 100' ' ' TYR . 16.6 tt -115.37 161.31 14.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 109.292 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.4 p -124.74 147.43 48.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 110.065 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 26.0 p90 -49.76 -35.63 23.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.996 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.594 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 4.4 tp10 -61.7 -43.34 99.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 110.308 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -62.9 -47.74 81.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 110.29 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.407 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 41.3 mt -56.2 -47.62 78.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.386 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.0 mt -60.43 -43.01 97.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 99.989999999999995 109.273 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -58.52 -53.8 54.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 99.989999999999995 110.266 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 3.8 t -59.05 -51.58 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 109.298 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.538 ' CE2' ' HG3' ' A' ' 49' ' ' MET . 5.9 t80 -55.17 -48.7 73.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 110.959 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.449 ' CE3' ' CE2' ' A' ' 156' ' ' PHE . 21.4 m95 -63.61 -20.82 65.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 108.043 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -83.82 -36.77 23.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 99.989999999999995 110.33 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -90.55 -0.44 57.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 99.989999999999995 109.291 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.54 169.26 15.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.655 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -112.22 155.1 44.05 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 109.296 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 160.03 40.74 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.583 1.833 . . . . 99.989999999999995 110.999 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.94 131.67 34.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 99.989999999999995 109.306 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -130.68 48.08 2.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.326 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 74.03 29.99 61.89 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 111.013 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.72 98.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 99.989999999999995 110.936 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -122.22 167.01 13.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 110.349 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -92.91 126.72 38.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 110.284 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -169.1 -78.91 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.56 1.162 . . . . 99.989999999999995 110.976 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.529 ' HB3' ' CE1' ' A' ' 130' ' ' HIS . 0.8 OUTLIER -114.28 155.2 26.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 0.772 . . . . 99.989999999999995 109.253 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.64 85.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 109.342 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.529 ' CE1' ' HB3' ' A' ' 128' ' ' ASN . 33.3 m80 -120.18 -40.16 2.73 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.437 1.085 . . . . 99.989999999999995 109.599 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -147.87 30.03 1.39 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.431 1.082 . . . . 99.989999999999995 111.0 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 69.2 p -82.4 -34.94 28.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.781 . . . . 99.989999999999995 110.391 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -44.42 -49.19 9.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 110.335 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -113.35 138.63 49.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 111.045 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -141.07 123.64 15.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.308 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 31.3 p -69.74 87.98 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 99.989999999999995 109.975 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -121.44 151.58 40.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 109.363 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 79.9 mt -115.87 131.67 67.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 99.989999999999995 109.319 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.517 ' CG ' HG23 ' A' ' 46' ' ' ILE . 76.9 m-85 -124.21 83.19 56.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 111.009 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 169.98 21.42 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.784 . . . . 99.989999999999995 111.031 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.476 HD22 ' CB ' ' A' ' 176' ' ' ALA . 4.2 mm? -115.66 -48.23 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 109.257 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.403 HG22 ' NE2' ' A' ' 145' ' ' GLN . 2.0 p -93.36 164.2 22.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 110.347 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -34.55 3.71 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 99.989999999999995 111.034 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.14 -52.25 63.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 110.303 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.403 ' NE2' HG22 ' A' ' 142' ' ' THR . 6.4 pt20 -71.93 -34.65 69.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 110.25 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.53 -54.25 46.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 109.292 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.77 -46.5 84.96 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.265 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -55.89 -41.19 74.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.299 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.92 -53.0 63.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 99.989999999999995 109.328 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -66.89 -39.87 87.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 99.989999999999995 110.287 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.8 -35.12 65.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 99.989999999999995 109.293 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 156' ' ' PHE . 56.1 p -78.22 -42.9 29.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 99.989999999999995 109.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.427 ' C ' ' CD2' ' A' ' 153' ' ' LEU . 4.5 tt -58.71 -53.18 61.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.27 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -57.06 -30.0 63.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.087 . . . . 99.989999999999995 110.317 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.79 -31.75 28.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 99.989999999999995 110.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.449 ' CE2' ' CE3' ' A' ' 115' ' ' TRP . 1.4 t80 -69.14 -54.51 14.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 111.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' A' ' 160' ' ' MET . 1.0 OUTLIER -60.24 -31.81 70.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.314 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.421 ' N ' ' HG3' ' A' ' 157' ' ' GLN . . . -71.88 -36.42 70.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 109.358 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -57.95 -49.33 77.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 99.989999999999995 109.281 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 6.9 ptm -68.28 -33.02 73.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 110.996 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.478 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.0 OUTLIER -63.04 -42.55 99.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 109.301 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.07 -22.79 67.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.272 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -83.71 -10.98 57.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.1 t70 82.21 31.95 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.409 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.35 124.38 48.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.238 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -92.31 18.95 7.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.323 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -84.33 74.43 10.34 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 110.297 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -69.42 123.35 21.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.652 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -73.67 139.83 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 99.989999999999995 109.289 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 65.7 m -88.36 56.61 3.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 110.389 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 20.5 m -93.62 124.97 37.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 110.387 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.07 127.27 50.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.336 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 7.0 mt -105.89 122.51 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 99.989999999999995 109.342 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -143.62 167.89 21.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.273 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -48.92 165.72 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.36 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . 0.476 ' CB ' HD22 ' A' ' 141' ' ' LEU . . . -86.42 83.99 7.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 109.3 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' THR . . . . . 0.417 ' CG2' ' OG1' ' A' ' 73' ' ' THR . 0.5 OUTLIER -62.57 162.48 20.16 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 110.355 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 109.5 2.94 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.569 1.826 . . . . 99.989999999999995 110.97 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 10.3 p90 -87.65 144.63 26.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 99.989999999999995 110.995 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -99.28 122.95 43.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 110.953 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . 0.576 ' CE1' ' HB2' ' A' ' 69' ' ' ALA . 7.1 m-85 -44.75 170.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 111.028 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.419 ' O ' ' NE2' ' A' ' 187' ' ' GLN . . . -127.66 171.28 11.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.071 . . . . 99.989999999999995 109.299 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -48.11 137.07 10.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 1.081 . . . . 99.989999999999995 110.313 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -56.65 -27.06 57.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.213 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.55 -44.35 94.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.313 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -69.28 -37.99 78.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.564 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 182' ' ' ALA . 0.0 OUTLIER -53.15 114.36 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 99.989999999999995 110.302 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.591 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 7.6 mp0 51.93 54.03 11.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 110.286 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.585 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 10.1 t80 -85.14 -25.81 27.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 110.973 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.0 -46.38 68.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 109.273 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -29.53 66.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.571 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.12 -29.28 67.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.3 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.8 OUTLIER -135.06 99.22 12.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 99.989999999999995 109.32 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 -10.93 21.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.494 1.786 . . . . 99.989999999999995 110.977 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -97.64 29.58 3.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 110.991 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -128.38 45.67 1.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 111.002 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . 0.49 ' CG ' ' O ' ' A' ' 197' ' ' TYR . 6.4 p90 -62.99 129.36 40.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 0.79 . . . . 99.989999999999995 110.991 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.66 -62.19 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 99.989999999999995 108.329 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 94.37 63.6 1.03 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.482 1.113 . . . . 99.989999999999995 110.947 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 3.0 mp -60.67 106.22 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.52 0.777 . . . . 99.989999999999995 109.202 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 147.75 60.06 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.921 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -142.45 158.46 26.95 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.036 -0.826 . . . . 99.989999999999995 111.036 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 6.7 tt -80.49 120.08 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 99.989999999999995 109.266 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -110.74 68.27 0.22 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 110.985 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 73.8 t -129.83 -58.46 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 99.989999999999995 109.314 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 64.2 p -69.59 71.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 110.006 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 32.0 mt -99.75 152.58 37.85 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.265 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 152.54 40.61 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.502 1.791 . . . . 99.989999999999995 110.95 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 141.72 27.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 99.989999999999995 111.018 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -86.97 151.86 22.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 110.311 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 109.288 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.021 -0.363 . . . . 99.989999999999995 110.021 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 tp -60.09 160.13 8.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 109.282 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -49.79 -43.31 48.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 110.966 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -55.67 171.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.306 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.98 -66.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 109.284 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -107.73 138.32 44.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.34 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -52.21 -48.42 65.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 99.989999999999995 109.58 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -94.6 175.28 6.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.296 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.444 HG12 ' CA ' ' A' ' 91' ' ' GLY . 9.3 p -87.28 149.38 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 109.31 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.45 161.74 66.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 110.054 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -30.27 7.48 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.452 1.764 . . . . 99.989999999999995 111.025 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.42 -24.72 61.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.287 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -91.42 -39.75 11.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.308 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.87 98.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 99.989999999999995 109.339 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.07 159.05 30.86 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 99.989999999999995 109.348 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 100.37 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.758 . . . . 99.989999999999995 111.026 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.83 -89.0 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.445 1.09 . . . . 99.989999999999995 111.003 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -108.45 132.2 54.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 99.989999999999995 110.293 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -93.52 27.72 2.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.266 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -125.45 129.59 24.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 110.409 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 137.92 22.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.767 . . . . 99.989999999999995 111.017 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.57 154.17 93.33 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.423 1.077 . . . . 99.989999999999995 110.966 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 125.11 9.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 99.989999999999995 110.988 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 181' ' ' TYR . 11.1 t -123.13 138.97 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 109.274 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.05 159.56 3.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.272 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 m -80.1 -29.84 39.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.424 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.477 ' CB ' ' C ' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -142.89 143.13 31.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 109.365 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.552 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 14.9 t-80 -39.42 150.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 99.989999999999995 109.624 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.475 ' CB ' ' HG3' ' A' ' 188' ' ' GLN . . . -80.44 -33.45 36.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 109.299 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.58 HG13 ' CE2' ' A' ' 60' ' ' TRP . 53.8 t -84.52 -69.52 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 109.297 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -52.3 -39.84 61.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.306 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.38 19.54 76.38 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.424 1.077 . . . . 99.989999999999995 110.923 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.477 ' C ' ' CB ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -121.46 162.12 21.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 99.989999999999995 109.639 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.458 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 1.2 t -41.42 145.96 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.954 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.47 -33.61 10.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 110.964 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 t -87.84 -35.2 17.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 110.34 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.458 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 1.2 t-20 -63.82 138.25 58.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.318 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.2 t -130.72 117.69 17.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.343 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 149.12 36.36 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.539 1.81 . . . . 99.989999999999995 110.965 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.77 134.87 56.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 109.313 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.32 4.39 66.37 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.983 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.565 ' HE1' ' CD1' ' A' ' 66' ' ' TYR . 3.3 ttm -107.93 152.43 24.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 0.825 . . . . 99.989999999999995 111.001 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -140.23 161.28 38.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.173 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mt -113.63 154.81 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.287 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -144.58 130.6 19.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.263 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.7 mt -101.22 127.23 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.295 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -141.94 147.66 37.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 110.959 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -134.7 126.37 28.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 99.989999999999995 109.294 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.445 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 0.2 OUTLIER -135.05 175.56 9.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 110.981 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -42.39 -77.39 0.08 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 111.019 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.39 -179.73 2.6 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.292 -1.003 . . . . 99.989999999999995 108.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.542 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -141.78 -48.99 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 111.051 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.793 ' CZ3' ' CE1' ' A' ' 189' ' ' TYR . 26.5 m0 -67.14 -42.38 84.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 107.993 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.19 -34.66 36.42 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.591 1.182 . . . . 99.989999999999995 111.005 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.566 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 78.7 t -73.37 -50.14 32.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.554 0.797 . . . . 99.989999999999995 109.248 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 188' ' ' GLN . 1.5 tt0 -51.19 -55.41 18.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 110.214 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.03 -26.57 68.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 99.989999999999995 110.344 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.443 ' CD2' ' CG ' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -65.61 -23.51 66.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 109.334 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.566 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 22.3 m-85 -81.35 -49.75 10.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 111.017 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.58 ' CE2' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -69.17 -53.91 17.6 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.951 -1.129 . . . . 99.989999999999995 107.951 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.503 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 4.6 mm-40 -48.9 -22.5 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.316 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.422 ' HB3' ' O ' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -76.73 141.4 68.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.268 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 115.15 4.2 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.797 . . . . 99.989999999999995 110.988 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.442 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 128.44 -18.95 5.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 110.983 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.456 ' CG1' ' HA ' ' A' ' 60' ' ' TRP . 25.6 t -89.07 121.48 39.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 0.775 . . . . 99.989999999999995 109.31 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.565 ' CD1' ' HE1' ' A' ' 42' ' ' MET . 3.0 t80 -75.51 -47.8 25.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 110.961 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.1 m -162.63 164.03 26.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.961 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.438 ' O ' ' NE2' ' A' ' 28' ' ' HIS . 35.1 p -146.7 140.62 26.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 110.425 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . . . -120.0 141.66 49.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.309 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.43 ' HA ' ' CG1' ' A' ' 96' ' ' VAL . . . -103.2 140.48 37.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 99.989999999999995 109.294 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -168.79 -154.49 8.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 110.961 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -136.61 168.59 19.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 99.989999999999995 111.046 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 t -175.33 174.74 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.381 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.34 -19.52 39.16 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.435 1.084 . . . . 99.989999999999995 110.969 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.517 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -86.38 -176.98 49.71 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.035 -0.826 . . . . 99.989999999999995 111.035 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -113.91 -21.49 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 99.989999999999995 110.972 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.429 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 9.0 m -74.95 117.43 62.62 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 110.396 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.17 31.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.471 1.774 . . . . 99.989999999999995 110.972 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.429 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 89.4 m-20 48.56 64.04 9.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.275 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.429 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -75.0 160.73 39.81 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.467 1.772 . . . . 99.989999999999995 110.982 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 83.2 m -118.04 153.64 33.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.377 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -52.83 -40.37 63.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 110.971 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.9 mtm-85 -69.27 -45.03 70.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 110.288 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.68 -44.31 82.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 110.241 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.422 ' CG2' ' HB2' ' A' ' 80' ' ' PRO . 55.6 t -61.01 -40.93 87.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.317 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.7 t -61.53 -30.65 70.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 110.042 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.3 m -67.37 -39.2 85.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 110.062 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.52 8.33 61.1 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.431 1.082 . . . . 99.989999999999995 110.95 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -88.09 5.7 39.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 0.766 . . . . 99.989999999999995 109.265 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 p -106.17 -16.8 14.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.4 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.444 ' CA ' HG12 ' A' ' 9' ' ' VAL . . . 58.09 19.99 40.6 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 110.996 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.517 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 42.2 m-70 -91.4 156.56 17.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 0.734 . . . . 99.989999999999995 109.638 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -122.18 167.96 12.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.406 1.066 . . . . 99.989999999999995 109.288 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -81.15 110.11 16.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.226 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.86 152.71 50.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.324 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.43 ' CG1' ' HA ' ' A' ' 70' ' ' ALA . 19.7 m -141.14 158.0 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.225 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.501 ' HG3' ' CG ' ' A' ' 179' ' ' PHE . 17.8 mtm180 -99.73 141.67 32.22 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 110.287 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.518 HG12 ' CG ' ' A' ' 59' ' ' PHE . 5.1 mp -126.94 116.0 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 99.989999999999995 109.246 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.497 ' CG1' ' HG2' ' A' ' 42' ' ' MET . 20.8 t -105.72 107.13 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 99.989999999999995 109.331 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.418 ' CD2' HD11 ' A' ' 110' ' ' LEU . 41.9 p90 -126.91 -179.88 5.05 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 111.027 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.47 133.41 24.02 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.287 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 0.41 8.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.569 1.826 . . . . 99.989999999999995 111.014 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.8 t -94.59 -24.07 17.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.02 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.3 t -104.8 -48.56 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.315 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.471 ' CD1' ' HG ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -132.07 136.11 57.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.299 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 p -91.36 161.7 14.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 109.975 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.632 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 28.8 p90 -60.8 -38.45 85.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 111.014 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.632 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.3 OUTLIER -58.43 -39.99 81.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.294 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -59.82 -34.79 73.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 110.256 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.471 ' HG ' ' CD1' ' A' ' 105' ' ' ILE . 63.2 mt -65.64 -46.51 78.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 99.989999999999995 109.326 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.575 ' HB3' ' CZ2' ' A' ' 115' ' ' TRP . 2.1 mt -67.19 -34.54 77.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 109.293 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -56.78 -50.51 72.1 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 110.282 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 117' ' ' ASN . 0.3 OUTLIER -74.24 -33.52 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.288 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.424 ' O ' ' N ' ' A' ' 118' ' ' HIS . 17.5 t80 -54.43 -53.18 57.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.955 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.575 ' CZ2' ' HB3' ' A' ' 111' ' ' LEU . 1.4 m0 -59.69 -25.82 65.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.128 . . . . 99.989999999999995 108.015 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.91 -30.01 28.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.321 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.445 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 13.7 t-20 -97.11 4.13 51.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 109.362 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.447 ' NE2' ' CB ' ' A' ' 136' ' ' SER . 6.3 t-160 -83.33 174.89 10.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.573 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -117.37 160.13 38.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.378 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 159.57 40.93 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 99.989999999999995 110.964 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -86.8 124.54 33.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.273 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -124.23 -2.23 8.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.313 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 74.54 0.11 57.37 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 110.93 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.63 145.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 99.989999999999995 110.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -85.04 121.39 27.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 110.284 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -108.14 178.85 4.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 99.989999999999995 110.288 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 127.0 -60.72 0.65 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.475 1.11 . . . . 99.989999999999995 110.966 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -173.79 -47.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 0.782 . . . . 99.989999999999995 109.293 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -121.98 134.07 54.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.1 . . . . 99.989999999999995 109.304 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -62.36 -37.17 84.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.661 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.488 ' HA3' ' CE2' ' A' ' 134' ' ' TYR . . . 39.87 81.32 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 110.972 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 11.8 p -84.65 -14.59 48.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 0.772 . . . . 99.989999999999995 110.323 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -50.12 -45.8 53.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 110.299 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 38.0 p90 -100.38 125.33 46.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 111.014 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.9 171.02 14.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 110.324 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.447 ' CB ' ' NE2' ' A' ' 118' ' ' HIS . 50.5 m -97.6 108.48 21.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 110.007 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -144.54 149.35 35.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.314 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 59.4 mt -112.46 131.27 64.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 99.989999999999995 109.283 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -129.42 76.19 79.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.988 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 166.75 28.54 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.518 1.799 . . . . 99.989999999999995 110.991 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 176' ' ' ALA . 0.2 OUTLIER -110.21 -43.37 3.95 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.285 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.4 p -83.16 158.71 63.76 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 110.331 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -37.28 2.08 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.473 1.775 . . . . 99.989999999999995 110.992 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -63.32 -33.6 75.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.342 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -70.02 -42.21 73.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 99.989999999999995 110.323 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -52.68 60.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -52.93 -51.08 62.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 99.989999999999995 109.301 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.49 96.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 99.989999999999995 109.291 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.96 -58.39 8.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.315 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 151' ' ' ALA . 25.7 ptt180 -63.6 -30.32 71.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.343 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.402 ' N ' ' HG3' ' A' ' 150' ' ' ARG . . . -60.07 -38.82 83.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.352 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.551 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 8.4 p -72.08 -32.99 67.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 110.008 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.26 -52.77 62.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.293 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -60.09 -45.77 91.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 99.989999999999995 110.31 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -50.89 69.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.353 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -64.27 -44.81 90.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.923 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.37 -41.95 88.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 99.989999999999995 110.25 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -60.18 -46.62 89.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.333 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.91 -42.24 90.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 109.274 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 6.1 tmm? -60.56 -48.22 82.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 110.96 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -27.6 69.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.327 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.73 -16.77 52.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.343 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -74.66 -7.85 54.53 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.275 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.0 t70 76.18 21.16 1.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 109.367 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -107.0 149.92 27.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 109.298 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.05 15.99 20.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.29 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -84.23 68.31 10.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 1.073 . . . . 99.989999999999995 110.288 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -70.64 141.79 51.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 99.989999999999995 109.609 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.97 135.41 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 109.305 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 32.9 m -92.88 33.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 110.404 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.33 131.63 34.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 110.383 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -121.39 139.31 53.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.278 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 20.1 mt -115.6 128.3 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.297 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.13 167.85 21.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 99.989999999999995 109.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -44.38 166.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.257 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . 0.469 ' HB2' ' CD2' ' A' ' 141' ' ' LEU . . . -86.6 89.51 7.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.314 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 31.0 p -59.22 163.25 6.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 110.395 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 113.46 3.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.77 . . . . 99.989999999999995 111.02 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.578 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.1 OUTLIER -76.72 142.84 40.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.607 1.192 . . . . 99.989999999999995 110.992 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 181' ' ' TYR . 5.1 m-85 -120.45 107.77 13.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.992 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . 0.542 ' HA ' ' CZ ' ' A' ' 179' ' ' PHE . 63.4 m-85 -36.45 150.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 111.045 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -113.96 174.07 6.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 99.989999999999995 109.283 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.4 ' HB2' ' CD2' ' A' ' 186' ' ' HIS . 11.8 mt-10 -44.45 130.49 6.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 99.989999999999995 110.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -51.83 -24.12 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 109.324 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.21 -38.86 82.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.31 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . 0.4 ' CD2' ' HB2' ' A' ' 183' ' ' GLU . 53.0 m-70 -74.3 -46.0 43.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 109.627 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . 0.621 ' O ' ' HG2' ' A' ' 188' ' ' GLN . 8.2 mt-30 -48.89 129.93 17.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 110.303 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.621 ' HG2' ' O ' ' A' ' 187' ' ' GLN . 0.3 OUTLIER 34.58 56.98 0.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 110.264 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.793 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 6.2 t80 -85.03 -27.55 26.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 111.031 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.25 -46.33 67.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.289 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.512 ' CG ' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -57.24 -28.9 63.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.573 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.7 -33.07 72.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.291 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.5 OUTLIER -133.78 100.45 13.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.24 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -20.37 16.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.533 1.807 . . . . 99.989999999999995 110.977 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -92.8 13.79 19.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 111.0 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -121.39 50.96 0.81 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 110.999 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -71.31 141.58 50.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 0.775 . . . . 99.989999999999995 110.998 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 23.6 p -97.59 105.44 17.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 99.989999999999995 108.308 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -45.33 128.79 8.53 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 111.07 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 21.0 mm -68.29 129.41 32.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.459 0.741 . . . . 99.989999999999995 109.288 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 147.28 -43.41 0.85 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.981 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . 0.525 ' C ' ' CD1' ' A' ' 203' ' ' ILE . . . 143.13 48.16 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.997 -0.841 . . . . 99.989999999999995 110.997 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . 0.525 ' CD1' ' C ' ' A' ' 202' ' ' GLY . 0.2 OUTLIER 40.32 -162.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.525 0.779 . . . . 99.989999999999995 109.338 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 155.59 55.93 0.01 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 111.011 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 26.3 t -142.48 -51.96 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 99.989999999999995 109.292 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 30.9 t -48.85 150.94 1.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 99.989999999999995 110.042 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 10.0 mt -98.99 151.15 37.26 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.381 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 150.29 37.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 99.989999999999995 111.036 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -53.23 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.588 1.836 . . . . 99.989999999999995 110.988 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -109.27 157.87 18.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 99.989999999999995 110.388 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.087 . . . . 99.989999999999995 109.311 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.052 -0.351 . . . . 99.989999999999995 110.052 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.2 tp -79.95 -53.19 6.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.326 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -49.95 142.91 8.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.112 . . . . 99.989999999999995 111.031 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.57 -39.87 92.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 109.329 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.34 102.19 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 99.989999999999995 109.288 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.619 ' NZ ' ' HG ' ' A' ' 10' ' ' SER . 15.5 ttpt -61.26 132.27 53.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 99.989999999999995 109.278 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.459 ' HB3' ' CE ' ' A' ' 124' ' ' MET . 69.6 m-70 -113.99 72.0 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 109.66 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -178.39 -176.58 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.287 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.4 p -82.83 144.54 9.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 109.299 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.619 ' HG ' ' NZ ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -82.64 167.91 26.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.912 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -25.35 11.96 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.432 1.754 . . . . 99.989999999999995 110.98 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.93 -23.03 58.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 109.342 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.93 -30.75 14.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 109.264 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.88 88.54 7.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 99.989999999999995 109.292 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -87.62 157.77 52.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.337 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 124.47 8.61 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.533 1.807 . . . . 99.989999999999995 110.994 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -104.88 -89.77 2.13 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 111.05 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.48 135.23 41.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.407 0.71 . . . . 99.989999999999995 110.268 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -118.45 42.97 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 109.303 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -99.05 120.23 58.9 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 110.373 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.477 ' N ' HD21 ' A' ' 79' ' ' ASN . 18.2 Cg_endo -75.04 131.21 13.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 99.989999999999995 111.037 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -83.0 144.1 46.99 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 111.01 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 139.22 24.14 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.522 1.801 . . . . 99.989999999999995 111.056 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.501 HG13 ' CD2' ' A' ' 181' ' ' TYR . 43.0 t -130.64 130.88 64.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.303 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.26 165.42 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 109.233 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.416 ' CB ' HD13 ' A' ' 27' ' ' LEU . 35.3 m -88.5 -42.7 11.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 110.442 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.485 ' N ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -112.79 159.15 19.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.304 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.563 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 18.6 t-80 -69.11 158.56 34.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.638 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.34 -27.8 27.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.239 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.561 HG23 ' CD2' ' A' ' 191' ' ' HIS . 58.4 t -94.83 -66.4 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.297 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 4.0 t-20 -55.76 -40.08 72.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.271 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.9 15.41 79.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.998 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 34' ' ' SER . 5.5 t60 -128.13 169.18 14.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 99.989999999999995 109.655 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.588 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 0.5 OUTLIER -53.9 131.67 40.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.008 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -99.34 -17.1 18.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 110.986 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.434 ' CG2' ' N ' ' A' ' 37' ' ' ASN . 15.0 t -88.09 -50.63 6.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 110.405 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.434 ' N ' ' CG2' ' A' ' 36' ' ' THR . 19.4 t-20 -54.64 140.97 33.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 99.989999999999995 109.313 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.5 t -126.35 109.69 23.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 99.989999999999995 109.224 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.14 148.06 34.25 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.465 1.771 . . . . 99.989999999999995 110.983 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -57.55 133.54 55.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.32 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.405 ' O ' ' OD1' ' A' ' 101' ' ' ASP . . . 99.47 -4.52 58.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.412 1.07 . . . . 99.989999999999995 111.049 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.528 ' HE1' ' CD1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -102.49 164.33 11.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 0.743 . . . . 99.989999999999995 111.02 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -140.91 159.11 42.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 110.316 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -115.53 148.41 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 109.257 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.452 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . . . -140.7 134.23 30.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.39 1.056 . . . . 99.989999999999995 109.259 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.727 ' CG2' ' CE2' ' A' ' 179' ' ' PHE . 91.2 mt -114.43 134.24 58.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.279 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.541 ' CD2' ' CZ ' ' A' ' 59' ' ' PHE . 62.3 m-85 -145.08 165.18 28.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 99.989999999999995 111.023 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -148.32 125.88 11.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.279 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.443 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 0.8 OUTLIER -133.26 165.56 24.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.952 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -38.82 -70.75 0.28 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 111.015 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -60.7 179.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.264 -1.013 . . . . 99.989999999999995 108.264 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -136.85 -53.49 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 99.989999999999995 111.047 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 25.3 m0 -82.14 -36.23 27.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 107.981 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -69.1 -41.14 82.04 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.57 1.169 . . . . 99.989999999999995 110.972 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.8 t -69.66 -61.82 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.453 0.737 . . . . 99.989999999999995 109.286 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.498 ' HG3' ' CZ3' ' A' ' 60' ' ' TRP . 8.1 pt-20 -49.63 -40.25 38.76 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 110.326 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.523 ' HA ' ' CD2' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -65.08 -33.7 76.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 110.295 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.76 -20.73 56.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.39 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.541 ' CZ ' ' CD2' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -76.49 -51.44 11.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 110.968 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.523 ' CD2' ' HA ' ' A' ' 57' ' ' ARG . 0.8 OUTLIER -72.16 -11.79 60.89 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.942 -1.132 . . . . 99.989999999999995 107.942 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.46 -7.44 57.65 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 110.313 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.468 ' CD2' ' HD2' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -81.56 137.37 48.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.468 ' HD2' ' CD2' ' A' ' 62' ' ' LEU . 18.4 Cg_endo -74.93 108.2 2.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 99.989999999999995 110.974 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.56 -9.1 5.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 111.055 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.2 t -86.73 121.93 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.572 0.807 . . . . 99.989999999999995 109.293 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.528 ' CD1' ' HE1' ' A' ' 42' ' ' MET . 0.7 OUTLIER -75.82 -54.7 6.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.949 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 m -157.72 161.24 38.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.006 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 64.1 p -140.45 149.41 42.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 99.989999999999995 110.463 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.497 ' HB3' ' CE2' ' A' ' 181' ' ' TYR . . . -137.47 123.51 20.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.301 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.59 140.02 33.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.302 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -160.01 -174.84 30.29 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.978 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -118.52 154.66 32.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.753 . . . . 99.989999999999995 111.04 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.635 ' CB ' ' CE1' ' A' ' 179' ' ' PHE . 11.5 t -151.2 166.88 29.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 110.463 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.21 -43.42 2.93 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 110.933 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.498 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -56.19 161.67 6.62 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.063 -0.815 . . . . 99.989999999999995 111.063 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -103.87 -20.63 13.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.773 . . . . 99.989999999999995 111.006 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 3.5 m -84.08 128.4 62.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 110.377 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.3 Cg_endo -75.04 166.29 29.46 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.561 1.821 . . . . 99.989999999999995 111.017 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.477 HD21 ' N ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER 40.28 66.2 3.46 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 109.294 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.56 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 18.5 Cg_endo -74.95 146.23 32.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.557 1.82 . . . . 99.989999999999995 111.034 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.49 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 90.0 m -114.04 162.62 16.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 99.989999999999995 110.39 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -62.57 -39.56 94.07 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 111.009 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -41.04 68.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 99.989999999999995 110.31 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -66.82 -44.3 81.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.257 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 81' ' ' THR . 57.3 t -66.83 -41.29 87.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.258 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.1 t -59.67 -27.81 66.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.085 . . . . 99.989999999999995 109.952 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.3 t -71.59 -39.06 70.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 110.024 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.38 14.75 63.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 111.049 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -86.12 -2.68 58.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.391 0.701 . . . . 99.989999999999995 109.31 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.5 p -108.91 -24.53 11.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 110.404 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.65 6.81 78.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 111.038 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.56 ' CD2' ' HB3' ' A' ' 80' ' ' PRO . 23.0 m-70 -60.29 149.06 34.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 0.747 . . . . 99.989999999999995 109.633 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -120.56 152.57 37.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 109.363 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 49' ' ' MET . 13.5 pt-20 -69.96 136.71 50.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 110.258 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.407 ' HB2' ' CE2' ' A' ' 179' ' ' PHE . . . -157.91 163.99 37.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 99.989999999999995 109.332 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 19.1 m -149.87 139.62 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.152 . . . . 99.989999999999995 109.314 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -93.05 144.34 25.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 110.218 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.525 HG12 ' CD1' ' A' ' 59' ' ' PHE . 5.4 mp -134.48 120.59 33.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 109.331 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.419 ' CG1' ' HG2' ' A' ' 42' ' ' MET . 91.2 t -109.62 103.82 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.309 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.702 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 30.0 p90 -124.22 179.49 4.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 111.034 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 41' ' ' GLY . 0.1 OUTLIER -110.64 138.0 20.9 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.292 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 1.16 8.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.507 1.793 . . . . 99.989999999999995 111.0 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.34 -25.99 16.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 110.002 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.1 t -101.97 -50.24 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 99.989999999999995 109.315 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.417 ' CG2' ' CD1' ' A' ' 100' ' ' TYR . 3.7 tp -123.14 143.72 35.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 109.301 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.1 p -112.63 162.84 15.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.986 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.461 ' CG ' ' N ' ' A' ' 108' ' ' GLU . 29.3 p90 -57.11 -37.38 71.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 111.001 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.461 ' N ' ' CG ' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -62.88 -42.07 99.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 99.989999999999995 110.221 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -64.81 -44.68 89.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 110.261 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.702 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 16.8 mt -68.11 -41.22 82.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.25 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.569 ' HB3' ' CZ2' ' A' ' 115' ' ' TRP . 1.5 mm? -63.42 -36.65 84.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 109.323 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -65.54 -43.11 90.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.381 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.447 HG23 ' CD1' ' A' ' 62' ' ' LEU . 75.4 t -59.13 -38.7 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 118' ' ' HIS . 3.2 t80 -62.09 -47.41 84.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 110.976 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.569 ' CZ2' ' HB3' ' A' ' 111' ' ' LEU . 3.9 m0 -66.05 -17.24 64.56 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.984 -1.117 . . . . 99.989999999999995 107.984 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -86.29 -38.26 17.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 110.273 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.443 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 0.4 OUTLIER -96.75 5.33 50.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.258 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 114' ' ' PHE . 0.5 OUTLIER -61.52 145.43 51.93 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.627 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -104.13 162.64 19.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.241 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 152.67 41.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 99.989999999999995 111.003 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -90.29 140.39 29.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -136.69 31.23 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.333 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 48.41 93.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.563 1.164 . . . . 99.989999999999995 111.029 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.459 ' CE ' ' HB3' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -43.4 104.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 99.989999999999995 110.969 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.29 165.31 12.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 110.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.62 152.35 39.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 110.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 123.73 -71.56 0.43 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 111.005 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 130' ' ' HIS . 3.0 m120 -80.69 87.84 5.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 99.989999999999995 109.321 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.55 92.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.308 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 128' ' ' ASN . 77.2 m-70 -152.6 70.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 99.989999999999995 109.572 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 115.84 30.41 2.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 110.975 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 9.0 m -75.01 -56.64 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 99.989999999999995 110.354 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -80.36 -16.18 55.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 110.276 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -96.28 91.74 6.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.947 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -129.88 172.79 11.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.599 1.187 . . . . 99.989999999999995 110.288 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 30.4 p -106.78 132.62 52.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 110.028 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -152.86 152.96 32.14 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 109.331 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 4.6 mt -111.63 133.17 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 99.989999999999995 109.333 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.514 ' CZ ' HG22 ' A' ' 73' ' ' THR . 89.2 m-85 -130.14 75.72 78.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 111.026 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 156.41 42.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 99.989999999999995 110.944 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 24.4 tp -110.33 -34.64 6.29 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.384 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.401 ' OG1' ' CD ' ' A' ' 145' ' ' GLN . 21.8 p -91.86 162.68 30.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 99.989999999999995 110.384 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -34.62 3.63 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.532 1.807 . . . . 99.989999999999995 110.964 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.91 -38.77 92.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 110.319 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.401 ' CD ' ' OG1' ' A' ' 142' ' ' THR . 47.1 mt-30 -67.0 -45.08 78.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 110.25 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.74 -46.65 89.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.172 . . . . 99.989999999999995 109.34 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.493 ' O ' ' CB ' ' A' ' 151' ' ' ALA . . . -53.06 -50.19 64.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 99.989999999999995 109.296 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -68.72 -44.22 74.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 99.989999999999995 109.306 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.85 -59.23 5.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.273 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.28 -38.02 87.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 110.342 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 147' ' ' ALA . . . -62.65 -47.49 83.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 109.338 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.498 ' HB2' ' CE2' ' A' ' 115' ' ' TRP . 1.9 p -63.99 -47.48 80.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.03 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.43 ' C ' ' CD2' ' A' ' 153' ' ' LEU . 4.2 tt -52.92 -50.86 63.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 99.989999999999995 109.287 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.53 -43.07 95.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 110.324 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 159' ' ' ALA . 0.0 OUTLIER -58.63 -51.94 67.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.305 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -63.64 -41.48 98.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 111.01 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -61.93 -51.68 67.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 110.313 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.18 -48.18 62.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.316 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 155' ' ' ARG . . . -51.75 -49.84 61.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 109.386 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 33.1 ttp -61.98 -48.2 81.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.963 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -24.9 63.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 99.989999999999995 109.298 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -71.22 -21.42 62.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.321 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -85.4 7.2 23.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 99.989999999999995 109.325 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.17 35.41 10.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.309 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -111.02 132.19 54.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.28 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.65 63.53 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.097 . . . . 99.989999999999995 109.267 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.3 77.63 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 99.989999999999995 110.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -54.6 139.47 38.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 99.989999999999995 109.614 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.5 mt -82.58 149.3 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.29 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 88.2 m -94.65 35.87 1.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.448 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.6 m -96.78 123.12 40.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 99.989999999999995 110.42 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.99 124.46 42.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 110.3 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 9.8 mt -97.39 120.92 47.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 109.277 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -137.8 169.23 18.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.284 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -53.2 155.1 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.283 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -87.59 82.97 7.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.322 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' THR . . . . . 0.415 ' HB ' ' HD2' ' A' ' 178' ' ' PRO . 69.0 p -76.85 163.71 63.83 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 110.402 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . 0.415 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.3 Cg_endo -74.96 103.06 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.44 1.758 . . . . 99.989999999999995 110.991 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.727 ' CE2' ' CG2' ' A' ' 46' ' ' ILE . 7.3 m-30 -76.49 145.84 38.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.596 1.185 . . . . 99.989999999999995 110.935 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 181' ' ' TYR . 19.2 m-85 -89.63 114.68 26.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.987 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . 0.501 ' CD2' HG13 ' A' ' 24' ' ' VAL . 30.9 m-85 -37.22 155.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 99.989999999999995 111.001 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -104.82 174.22 5.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.296 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.12 142.04 7.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 110.262 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -53.18 -28.46 26.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 109.281 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -45.12 93.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.29 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -62.71 -46.03 90.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 109.617 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -51.83 98.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 99.989999999999995 110.328 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.563 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 5.7 mp0 62.78 60.8 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 110.253 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.452 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 15.2 t80 -84.19 -25.4 29.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 111.022 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.78 -44.13 67.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.561 ' CD2' HG23 ' A' ' 30' ' ' VAL . 0.2 OUTLIER -58.34 -38.29 76.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.608 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -36.95 77.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 99.989999999999995 109.264 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.9 OUTLIER -139.02 106.41 7.37 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.273 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -9.5 20.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 99.989999999999995 111.005 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -97.92 30.23 3.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 110.94 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -116.91 45.33 1.3 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.156 . . . . 99.989999999999995 111.004 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . 0.439 ' O ' ' CG ' ' A' ' 197' ' ' TYR . 9.0 p90 -60.39 131.23 50.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 99.989999999999995 111.03 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -107.56 145.49 33.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 108.287 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -67.96 107.95 2.26 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 111.032 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 66.4 mt -106.68 -68.36 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.756 . . . . 99.989999999999995 109.293 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 86.01 72.37 1.29 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.583 1.177 . . . . 99.989999999999995 111.051 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -173.99 -45.79 0.05 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.972 -0.851 . . . . 99.989999999999995 110.972 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -41.58 135.59 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 99.989999999999995 109.269 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -156.37 -50.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 111.027 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 1.2 m -52.88 -41.57 40.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.478 0.752 . . . . 99.989999999999995 109.277 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.57 180.0 7.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.974 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -71.36 115.87 41.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 109.303 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 169.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.554 1.818 . . . . 99.989999999999995 111.021 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 165.41 31.3 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 99.989999999999995 110.955 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.16 -63.86 0.51 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 110.26 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 109.358 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.451 -0.375 0 N-CA-C 110.016 -0.364 . . . . 99.989999999999995 110.016 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.93 57.36 2.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 99.989999999999995 109.272 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -135.87 171.37 14.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 111.055 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -146.55 122.97 11.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 109.269 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.34 170.0 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.613 1.195 . . . . 99.989999999999995 109.265 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.17 147.72 7.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 109.31 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.435 ' O ' ' ND1' ' A' ' 7' ' ' HIS . 26.0 p80 -82.12 110.45 17.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 109.533 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.63 -166.73 1.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.303 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.6 p -50.18 144.79 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 99.989999999999995 109.314 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m -65.79 157.24 80.51 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.989 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -26.44 10.77 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.523 1.802 . . . . 99.989999999999995 110.993 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.01 -29.88 71.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 99.989999999999995 109.322 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.21 -38.52 11.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.29 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.84 178.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.352 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.91 155.39 36.51 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.332 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' GLY . 18.0 Cg_endo -75.09 108.28 2.68 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 99.989999999999995 110.926 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . -37.19 120.81 0.75 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.448 1.092 . . . . 99.989999999999995 110.975 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -89.86 166.49 13.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 99.989999999999995 110.28 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.01 26.77 8.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.353 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.8 m -101.31 107.61 51.43 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 99.989999999999995 110.437 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 136.73 20.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 99.989999999999995 111.057 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 47.7 tpp -70.3 132.38 87.94 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 111.0 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 128.92 11.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 99.989999999999995 111.028 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 181' ' ' TYR . 25.1 t -136.47 144.1 33.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 99.989999999999995 109.312 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.02 152.67 38.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 99.989999999999995 109.326 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.474 ' CG2' HD11 ' A' ' 27' ' ' LEU . 1.8 m -78.09 -40.89 36.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 110.412 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.474 HD11 ' CG2' ' A' ' 26' ' ' THR . 0.1 OUTLIER -107.88 139.29 42.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 99.989999999999995 109.265 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.527 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 18.0 t-80 -52.65 154.51 2.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.642 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.456 ' CB ' ' OE1' ' A' ' 188' ' ' GLN . . . -82.26 -27.76 32.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.332 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.61 ' CG1' ' CE2' ' A' ' 60' ' ' TRP . 77.0 t -95.16 -66.54 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.29 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -54.82 -36.81 65.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.253 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.1 19.71 79.76 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.546 1.153 . . . . 99.989999999999995 111.009 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.511 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.8 t60 -127.97 164.99 21.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 99.989999999999995 109.549 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.511 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -43.41 144.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 109.997 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.8 mtp -97.57 -64.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 111.055 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.1 p -53.67 -50.53 65.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 110.354 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -56.15 127.13 29.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.307 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 36.9 t -125.72 129.88 24.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.304 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 38' ' ' VAL . 18.2 Cg_endo -75.01 142.88 28.34 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.516 1.798 . . . . 99.989999999999995 110.982 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.12 129.0 29.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.285 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.55 -9.51 32.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.443 1.089 . . . . 99.989999999999995 111.038 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.519 ' HE3' ' CD1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -104.66 155.09 19.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 99.989999999999995 111.053 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -134.12 159.6 40.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.296 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.46 HG12 ' CG2' ' A' ' 99' ' ' VAL . 3.8 mt -106.02 147.03 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.303 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -138.95 132.17 29.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.319 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.9 mt -111.47 137.01 45.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 99.989999999999995 109.311 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -150.57 161.51 42.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.967 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -129.65 117.98 21.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 99.989999999999995 109.375 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.505 ' HG3' ' CE1' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -121.21 177.02 5.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.99 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -55.36 -77.36 0.15 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 111.022 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.3 m -65.01 178.83 0.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.219 -1.03 . . . . 99.989999999999995 108.219 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -126.18 -49.19 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 99.989999999999995 111.006 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.519 ' CG ' ' HB3' ' A' ' 189' ' ' TYR . 12.1 m0 -83.22 -38.24 22.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 99.989999999999995 107.95 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.72 -47.77 86.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.128 . . . . 99.989999999999995 111.059 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 56' ' ' GLU . 32.0 m -70.65 -53.81 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 99.989999999999995 109.276 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.418 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.8 tt0 -49.33 -53.91 19.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 110.311 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -64.33 -27.89 69.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 110.233 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -41.64 75.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 109.263 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.538 ' CG ' HG12 ' A' ' 98' ' ' ILE . 6.6 m-85 -57.76 -49.95 74.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 110.961 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.61 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -68.29 -54.87 14.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 108.083 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.521 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 1.6 mm100 -48.91 -22.49 0.85 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 110.267 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.448 HD13 ' CG1' ' A' ' 113' ' ' VAL . 10.4 mt -76.05 142.22 72.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 113.03 3.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.443 1.759 . . . . 99.989999999999995 111.029 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.83 -21.76 4.4 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 110.947 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 59' ' ' PHE . 70.7 t -88.27 125.75 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.571 0.806 . . . . 99.989999999999995 109.301 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.519 ' CD1' ' HE3' ' A' ' 42' ' ' MET . 2.8 t80 -81.22 -56.99 3.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 110.935 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.9 p -148.57 160.05 43.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.05 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 20.4 p -141.22 167.73 21.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 110.355 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.14 142.91 22.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.286 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -97.79 139.85 33.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.077 . . . . 99.989999999999995 109.291 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.486 ' HA3' ' CE2' ' A' ' 179' ' ' PHE . . . -168.3 -159.26 13.55 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 110.981 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.57 ' CE2' ' HB1' ' A' ' 182' ' ' ALA . 5.1 m-85 -147.43 168.99 20.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 99.989999999999995 111.006 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.405 HG22 ' CB ' ' A' ' 95' ' ' ALA . 6.0 t -172.53 166.55 5.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.419 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.47 -12.49 67.74 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 110.974 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.505 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -77.16 172.13 55.13 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.951 -0.86 . . . . 99.989999999999995 110.951 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.491 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 0.6 OUTLIER -106.76 -29.16 9.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 0.807 . . . . 99.989999999999995 111.031 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.5 m -79.28 127.7 78.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.441 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -75.0 166.34 29.4 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.575 1.829 . . . . 99.989999999999995 110.981 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.402 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 54.8 m-80 40.44 64.6 4.6 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.293 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.538 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 18.5 Cg_endo -74.94 147.27 33.96 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.519 1.799 . . . . 99.989999999999995 111.009 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.9 m -116.33 155.62 28.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 99.989999999999995 110.464 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -56.2 -48.14 76.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 111.008 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -38.84 84.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.594 1.184 . . . . 99.989999999999995 110.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.428 ' OE2' ' CG2' ' A' ' 90' ' ' THR . 1.6 tt0 -68.04 -45.11 74.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 110.246 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.1 t -59.78 -38.82 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 109.263 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.437 ' O ' ' NE2' ' A' ' 133' ' ' GLN . 22.8 t -54.34 -21.29 9.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.049 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.9 m -64.64 -40.11 94.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 110.022 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 82.66 1.12 90.5 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.954 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -97.17 17.55 16.94 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.583 0.814 . . . . 99.989999999999995 109.339 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.428 ' CG2' ' OE2' ' A' ' 84' ' ' GLU . 6.1 p -108.59 -14.1 14.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 99.989999999999995 110.398 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.19 5.9 59.9 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.98 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.538 ' CD2' ' HB3' ' A' ' 80' ' ' PRO . 53.4 m-70 -73.04 151.58 41.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 0.799 . . . . 99.989999999999995 109.58 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -126.57 154.98 43.16 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 109.345 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -74.35 112.36 10.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 110.323 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.405 ' CB ' HG22 ' A' ' 73' ' ' THR . . . -135.65 153.93 51.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.314 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.9 m -142.99 141.78 26.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.327 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.16 128.97 39.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.3 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.538 HG12 ' CG ' ' A' ' 59' ' ' PHE . 3.0 mp -117.03 129.82 72.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 109.347 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.46 ' CG2' HG12 ' A' ' 44' ' ' ILE . 87.9 t -114.36 99.96 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 109.252 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.693 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 8.0 p90 -123.15 175.15 6.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.979 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.55 133.5 20.15 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 109.196 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.02 9.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.802 . . . . 99.989999999999995 111.009 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.26 -19.46 17.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.997 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.0 t -103.67 -49.37 9.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.318 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.8 tt -121.84 155.14 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 109.287 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 p -114.83 148.41 38.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 99.989999999999995 110.083 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.523 ' CE1' ' HG3' ' A' ' 108' ' ' GLU . 51.5 p90 -50.31 -29.51 9.93 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.936 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.523 ' HG3' ' CE1' ' A' ' 107' ' ' TYR . 0.5 OUTLIER -72.73 -31.61 65.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.257 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -40.36 85.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 110.265 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.693 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 8.3 mt -69.62 -41.8 75.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.249 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.24 -38.29 90.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 109.303 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.51 -54.2 26.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 110.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.448 ' CG1' HD13 ' A' ' 62' ' ' LEU . 21.7 t -63.01 -44.91 99.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.596 1.185 . . . . 99.989999999999995 109.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.505 ' CE1' ' HG3' ' A' ' 49' ' ' MET . 32.4 t80 -51.63 -53.16 41.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 99.989999999999995 111.042 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 42.4 m95 -67.19 -24.78 65.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 107.981 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -70.62 -32.15 69.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 110.344 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -103.9 4.35 34.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 109.265 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.59 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 26.1 t-80 -72.37 160.53 32.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.613 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.59 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 7.3 m-20 -99.16 144.91 29.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.335 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 160.33 40.12 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 99.989999999999995 110.997 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.76 124.91 32.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 99.989999999999995 109.332 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.31 34.68 3.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 110.267 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 125' ' ' ARG . . . 82.86 24.6 52.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.115 . . . . 99.989999999999995 110.995 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 5.4 ppp? -37.77 -31.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.757 . . . . 99.989999999999995 110.971 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 123' ' ' GLY . 0.4 OUTLIER -98.11 120.11 37.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 99.989999999999995 110.28 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -128.36 172.16 11.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.265 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -39.57 -63.71 1.14 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.451 1.095 . . . . 99.989999999999995 111.007 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -128.49 93.96 3.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 0.804 . . . . 99.989999999999995 109.28 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -75.54 171.98 13.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.271 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -157.04 60.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.598 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 155.54 43.51 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 111.054 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 133' ' ' GLN . 45.7 m -80.68 -0.63 39.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 99.989999999999995 110.459 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 86' ' ' SER . 6.4 mt-30 -39.0 -54.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.267 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 32.5 p90 -86.17 125.13 33.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.997 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.3 173.63 11.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 99.989999999999995 110.322 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.2 p -111.06 98.57 7.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.079 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -129.16 162.6 27.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 109.249 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 4.4 mt -125.47 126.98 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 99.989999999999995 109.364 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -122.72 77.59 48.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 110.984 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.421 ' HB3' ' CG ' ' A' ' 145' ' ' GLN . 18.3 Cg_endo -75.04 162.74 36.54 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.521 1.801 . . . . 99.989999999999995 110.975 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.463 HD23 ' CB ' ' A' ' 176' ' ' ALA . 0.2 OUTLIER -114.66 -10.11 12.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 109.317 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.464 HG23 ' CG ' ' A' ' 145' ' ' GLN . 0.3 OUTLIER -120.58 151.84 54.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 110.456 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -37.86 1.86 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.499 1.789 . . . . 99.989999999999995 110.971 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.25 -48.75 78.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 110.356 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.464 ' CG ' HG23 ' A' ' 142' ' ' THR . 1.9 pt20 -69.82 -31.55 69.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 110.259 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.18 -44.97 92.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.294 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.88 -36.93 75.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 99.989999999999995 109.313 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -68.6 -43.98 75.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 109.249 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.03 -59.08 5.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 109.303 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -32.34 70.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 99.989999999999995 110.324 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.89 97.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.173 . . . . 99.989999999999995 109.238 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.7 p -75.57 -42.03 53.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 109.95 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.474 ' C ' ' CD2' ' A' ' 153' ' ' LEU . 0.6 OUTLIER -57.31 -51.37 69.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.314 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -60.7 -41.66 95.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 110.313 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -65.2 -43.03 92.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 110.266 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 115' ' ' TRP . 0.8 OUTLIER -60.41 -39.78 88.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 110.988 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 160' ' ' MET . 6.2 tt0 -65.32 -47.49 76.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 110.305 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.16 -30.97 67.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 109.289 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.79 77.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 109.333 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.519 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 9.9 ptm -67.92 -31.82 71.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.117 . . . . 99.989999999999995 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.519 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -61.07 -38.6 86.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 99.989999999999995 109.322 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.66 -17.03 62.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 109.313 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.443 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -83.57 -0.93 52.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 109.297 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 5.5 t0 77.25 31.28 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.277 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -106.63 133.1 51.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.321 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.51 -11.19 27.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 26.4 mmt-85 -72.6 69.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 110.238 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -65.71 145.73 55.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.103 . . . . 99.989999999999995 109.628 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.439 ' CD1' ' HG ' ' A' ' 153' ' ' LEU . 2.1 pt -64.02 140.49 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.342 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 10.2 t -108.21 27.54 9.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.354 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.455 ' CG2' HD13 ' A' ' 153' ' ' LEU . 1.9 t -80.62 136.81 36.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 110.37 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -120.04 139.26 52.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.282 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 15.8 mt -106.97 121.75 60.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.13 . . . . 99.989999999999995 109.309 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -136.93 161.74 35.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 109.356 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -41.22 159.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.292 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . 0.463 ' CB ' HD23 ' A' ' 141' ' ' LEU . . . -73.43 86.19 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 99.989999999999995 109.274 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 58.0 p -59.26 161.73 9.31 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 110.378 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 108.91 2.82 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 99.989999999999995 111.007 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.6 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.1 OUTLIER -76.84 145.08 38.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 110.977 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.32 112.77 19.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 110.955 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . 0.508 ' HA ' ' CZ ' ' A' ' 179' ' ' PHE . 43.5 m-85 -40.39 158.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.999 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.57 ' HB1' ' CE2' ' A' ' 72' ' ' TYR . . . -122.38 175.09 6.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 99.989999999999995 109.269 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -39.01 132.06 1.33 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 99.989999999999995 110.294 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.57 -24.13 19.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 109.297 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.78 -45.29 94.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 109.29 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -63.81 -38.79 92.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 99.989999999999995 109.588 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.88 109.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 110.308 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.52 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 10.0 mp0 54.82 56.82 6.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 110.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.519 ' HB3' ' CG ' ' A' ' 53' ' ' TRP . 9.0 t80 -84.04 -30.24 26.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.946 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.405 ' CD2' ' O ' ' A' ' 196' ' ' GLY . 0.1 OUTLIER -73.74 -46.38 46.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 99.989999999999995 109.249 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.42 ' ND1' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -60.35 -32.72 71.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.574 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.43 -47.78 82.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 109.265 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.1 OUTLIER -122.57 109.05 32.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.287 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.0 9.43 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 99.989999999999995 111.03 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -93.15 -9.74 38.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.976 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . 0.405 ' O ' ' CD2' ' A' ' 190' ' ' LEU . . . -87.48 75.72 2.1 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 110.992 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -76.98 110.25 11.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 0.739 . . . . 99.989999999999995 111.032 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 30.8 t -57.58 160.07 4.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 108.338 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -97.65 76.21 0.63 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 111.029 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 10.9 mt -87.58 -58.17 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 99.989999999999995 109.274 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -71.26 97.88 0.7 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 110.967 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 126.19 -159.73 20.56 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.948 -0.861 . . . . 99.989999999999995 110.948 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 2.2 pp -108.4 166.47 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.757 . . . . 99.989999999999995 109.281 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -73.34 -93.29 0.11 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 110.986 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.37 125.62 43.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 0.781 . . . . 99.989999999999995 109.341 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 27.0 p -106.37 -24.47 12.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.957 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 27.6 mt -98.11 151.48 37.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 99.989999999999995 109.288 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 157.25 42.8 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 99.989999999999995 110.993 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 108.59 2.75 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.531 1.806 . . . . 99.989999999999995 111.006 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.97 -60.02 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 110.278 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.31 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.992 -0.373 . . . . 99.989999999999995 109.992 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.04 54.97 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.242 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -159.88 -172.06 3.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 110.984 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -116.97 78.5 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.319 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -114.72 134.04 55.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 109.257 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.85 120.54 42.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 109.352 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.2 145.05 36.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 109.581 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.4 tp -149.9 136.36 19.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.325 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.9 p -94.57 153.9 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 99.989999999999995 109.312 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.57 171.65 11.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.012 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -42.47 0.5 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.47 1.774 . . . . 99.989999999999995 111.01 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.21 -25.16 63.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 99.989999999999995 109.306 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.42 -39.38 20.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.56 1.163 . . . . 99.989999999999995 109.324 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.66 113.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 109.289 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.2 mt -100.33 157.02 34.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 109.305 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 99.68 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.472 1.775 . . . . 99.989999999999995 110.964 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.416 ' O ' ' NE ' ' A' ' 18' ' ' ARG . . . -58.61 -82.68 0.06 OUTLIER Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 110.944 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.416 ' NE ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -134.14 166.53 22.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 0.793 . . . . 99.989999999999995 110.33 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -119.85 35.21 4.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.315 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.0 m -102.33 110.18 62.12 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.603 1.189 . . . . 99.989999999999995 110.41 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 137.9 22.26 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.512 1.796 . . . . 99.989999999999995 110.982 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.1 mtt -76.2 146.5 78.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 111.027 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 130.03 12.91 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.446 1.761 . . . . 99.989999999999995 111.023 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.408 HG23 ' CD2' ' A' ' 181' ' ' TYR . 26.6 t -113.46 132.99 60.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 109.313 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.51 167.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.267 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.7 m -83.28 -37.56 23.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.158 . . . . 99.989999999999995 110.398 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.475 ' CB ' ' C ' ' A' ' 33' ' ' HIS . 0.5 OUTLIER -129.88 161.71 30.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.302 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.479 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.8 t-80 -58.75 160.48 5.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 109.677 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.562 ' HB3' ' CE1' ' A' ' 191' ' ' HIS . . . -85.46 -34.02 21.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.305 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.479 ' HB ' ' CE1' ' A' ' 28' ' ' HIS . 44.2 t -87.61 -67.51 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 109.307 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.16 -38.64 65.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.274 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.77 32.04 61.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 111.0 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.475 ' C ' ' CB ' ' A' ' 27' ' ' LEU . 20.5 t60 -135.84 158.49 44.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 0.794 . . . . 99.989999999999995 109.627 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.1 p -39.44 143.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 99.989999999999995 110.013 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.99 -62.81 1.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 111.031 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.7 t -49.88 -44.63 50.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 110.447 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -54.46 134.95 46.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.376 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 t -137.93 116.08 9.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 109.275 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.405 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -74.97 139.6 24.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.528 1.804 . . . . 99.989999999999995 111.056 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.65 131.79 30.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 109.35 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.63 -4.88 32.73 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 111.012 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.474 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -106.91 165.26 11.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 0.807 . . . . 99.989999999999995 110.98 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -145.29 165.66 27.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 99.989999999999995 110.272 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.3 mt -109.31 155.44 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 109.276 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -146.67 138.55 24.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.321 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.0 mt -117.03 146.67 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 99.989999999999995 109.241 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.544 ' CD2' ' CE2' ' A' ' 114' ' ' PHE . 33.8 m-85 -155.06 155.94 34.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 111.007 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -131.13 116.3 17.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.286 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.605 ' SD ' ' CE2' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -126.17 149.94 48.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 99.989999999999995 110.971 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -37.83 -42.92 1.16 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.579 1.175 . . . . 99.989999999999995 110.979 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.5 m -105.16 179.76 4.18 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.375 -0.972 . . . . 99.989999999999995 108.375 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 2.4 p90 -146.79 -44.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 111.062 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 22.4 m0 -64.72 -46.05 83.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 107.954 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.97 -41.89 17.47 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.568 1.167 . . . . 99.989999999999995 111.025 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 83.2 t -63.18 -59.1 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 0.736 . . . . 99.989999999999995 109.256 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 20.0 tt0 -53.87 -35.06 61.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 99.989999999999995 110.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.558 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 34.5 ttp85 -65.57 -39.56 91.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 110.366 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.547 ' CD2' ' ND2' ' A' ' 117' ' ' ASN . 0.3 OUTLIER -75.99 -20.94 57.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 109.324 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.692 ' CE2' ' CD1' ' A' ' 98' ' ' ILE . 0.1 OUTLIER -77.44 -53.56 7.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 111.04 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.558 ' CE3' ' HA ' ' A' ' 57' ' ' ARG . 0.5 OUTLIER -69.62 -12.7 61.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 107.983 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -85.77 -8.83 57.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.226 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.5 144.08 48.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 109.356 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 113.17 3.73 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 99.989999999999995 110.96 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.0 -13.73 5.75 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.999 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.448 ' CG1' ' HA ' ' A' ' 60' ' ' TRP . 20.3 t -78.88 110.68 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 99.989999999999995 109.304 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.474 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 3.9 t80 -78.87 -51.91 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 99.989999999999995 110.971 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -140.23 146.81 39.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 110.02 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.407 ' HG1' ' CE1' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -127.46 156.14 42.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 99.989999999999995 110.435 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.05 158.19 32.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.327 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 182' ' ' ALA . . . -125.92 134.88 51.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 99.989999999999995 109.25 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -153.47 -164.92 13.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.422 1.076 . . . . 99.989999999999995 111.023 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -137.3 160.23 39.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 0.779 . . . . 99.989999999999995 110.996 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.0 t -169.36 172.21 7.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 110.358 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.68 -19.24 55.51 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 111.035 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.24 -178.93 49.71 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.047 -0.821 . . . . 99.989999999999995 111.047 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.412 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 13.8 t80 -112.53 -19.1 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 99.989999999999995 110.956 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.401 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 21.6 m -74.99 117.84 65.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 99.989999999999995 110.415 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 150.22 37.53 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.451 1.764 . . . . 99.989999999999995 110.941 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.427 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 27.9 m-20 42.67 64.0 6.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.327 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.453 ' HB2' ' CG2' ' A' ' 85' ' ' VAL . 18.4 Cg_endo -74.92 151.93 40.53 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.526 1.803 . . . . 99.989999999999995 110.982 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.6 m -111.41 153.33 26.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 110.449 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -52.62 -39.66 61.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 99.989999999999995 110.979 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -69.05 -39.68 79.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 99.989999999999995 110.321 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -72.75 -44.73 61.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 110.286 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.453 ' CG2' ' HB2' ' A' ' 80' ' ' PRO . 50.6 t -61.77 -38.33 80.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 109.336 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.5 t -69.44 -25.85 64.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.592 1.182 . . . . 99.989999999999995 110.028 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.67 -33.97 71.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 109.954 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.46 14.5 61.67 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 111.039 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -99.03 16.25 23.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 0.756 . . . . 99.989999999999995 109.361 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.3 p -112.67 -25.0 9.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 110.331 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.69 16.83 68.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 111.012 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.401 ' NE2' ' O ' ' A' ' 77' ' ' THR . 28.6 m-70 -84.51 166.11 17.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 0.739 . . . . 99.989999999999995 109.591 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -125.61 167.71 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.317 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -85.37 124.69 32.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 99.989999999999995 110.355 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.81 164.27 32.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.314 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.7 m -144.42 146.22 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.3 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.57 ' HG3' ' CE1' ' A' ' 179' ' ' PHE . 0.1 OUTLIER -101.35 136.74 40.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 110.291 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.692 ' CD1' ' CE2' ' A' ' 59' ' ' PHE . 4.7 mp -130.83 134.34 61.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 109.278 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.471 ' CG2' ' CZ ' ' A' ' 97' ' ' ARG . 59.1 t -120.51 100.08 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.249 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -123.14 179.97 4.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 111.039 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.39 132.68 22.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 99.989999999999995 109.345 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -0.46 10.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.778 . . . . 99.989999999999995 111.028 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.15 -23.75 16.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.994 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.2 t -103.63 -37.93 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 109.268 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.425 HD13 ' N ' ' A' ' 106' ' ' SER . 0.2 OUTLIER -138.29 131.7 41.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 109.28 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.425 ' N ' HD13 ' A' ' 105' ' ' ILE . 3.9 p -92.98 154.28 18.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.021 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.482 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 10.4 p90 -62.89 -31.66 72.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 110.947 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.482 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 1.5 tt0 -59.1 -48.01 83.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 110.239 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -58.92 -41.25 86.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 110.249 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 46.5 mt -59.19 -46.95 87.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 109.257 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 87.8 mt -58.23 -40.43 81.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 109.354 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -41.86 84.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.15 . . . . 99.989999999999995 110.24 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.405 ' CG1' HD13 ' A' ' 58' ' ' LEU . 2.2 t -65.3 -53.35 41.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 109.313 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.605 ' CE2' ' SD ' ' A' ' 49' ' ' MET . 1.5 m-85 -56.15 -38.12 70.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 110.991 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.496 ' CH2' ' HB2' ' A' ' 156' ' ' PHE . 3.3 m95 -59.88 -29.54 68.39 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.961 -1.125 . . . . 99.989999999999995 107.961 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -86.79 -35.45 19.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.296 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.547 ' ND2' ' CD2' ' A' ' 58' ' ' LEU . 18.7 t-20 -87.43 5.79 37.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 109.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -69.42 155.98 39.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.637 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -105.05 158.48 31.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.342 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 160.18 40.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.518 1.799 . . . . 99.989999999999995 111.002 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.65 130.07 34.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 99.989999999999995 109.357 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -106.23 -25.92 11.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 99.989999999999995 110.24 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 124' ' ' MET . . . 94.29 30.21 8.91 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 110.981 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 123' ' ' GLY . 11.2 ttp -36.91 116.81 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 0.79 . . . . 99.989999999999995 111.012 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.02 130.98 2.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 99.989999999999995 110.318 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -126.39 177.86 6.2 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 110.284 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -83.38 -35.99 15.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 111.038 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -104.23 -64.5 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 99.989999999999995 109.281 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -157.4 163.22 38.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 109.268 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.423 ' H ' ' CD2' ' A' ' 130' ' ' HIS . 0.3 OUTLIER -121.36 161.27 22.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 109.556 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -75.28 92.9 0.87 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 110.978 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 133' ' ' GLN . 31.1 m -84.76 -3.64 58.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.408 0.711 . . . . 99.989999999999995 110.333 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 132' ' ' THR . 1.3 mt-30 -38.12 -48.36 1.23 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 110.343 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -120.97 125.12 46.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.982 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -149.0 169.52 20.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.325 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.4 p -100.78 88.39 3.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 110.033 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -121.64 150.66 41.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 109.319 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 54.9 mt -113.94 132.64 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 99.989999999999995 109.266 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -123.31 77.47 53.25 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 99.989999999999995 111.009 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 169.8 21.79 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.433 1.754 . . . . 99.989999999999995 110.947 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -112.54 -56.46 2.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 109.265 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 67.3 p -63.94 159.97 50.62 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 99.989999999999995 110.394 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.7 3.61 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.552 1.817 . . . . 99.989999999999995 111.002 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.66 -47.63 68.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.288 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.419 ' HG3' ' CD1' ' A' ' 107' ' ' TYR . 34.6 tt0 -57.73 -38.33 75.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 110.252 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -45.81 91.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.309 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -72.2 -41.32 67.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.329 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -56.59 -52.65 64.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.289 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.9 -54.68 41.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.227 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.95 -44.72 82.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 110.306 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.1 -39.84 69.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.306 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.6 p -78.0 -34.14 50.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.975 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.503 ' C ' ' CD2' ' A' ' 153' ' ' LEU . 2.3 tt -64.74 -53.14 51.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.319 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.62 -20.0 62.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.26 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.6 -47.96 7.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 99.989999999999995 110.295 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.496 ' HB2' ' CH2' ' A' ' 115' ' ' TRP . 13.1 t80 -50.32 -55.81 13.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 99.989999999999995 111.032 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.463 ' O ' ' CG ' ' A' ' 160' ' ' MET . 12.1 pt20 -59.33 -36.24 75.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 110.306 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.42 -32.1 68.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.16 77.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 109.268 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.482 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 7.6 ptm -68.02 -32.76 73.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 110.975 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.482 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.0 OUTLIER -60.96 -41.98 97.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.309 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.94 -22.01 66.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.279 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.437 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -84.14 -0.48 52.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 99.989999999999995 109.357 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.9 OUTLIER 77.44 33.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.278 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -106.28 127.1 52.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.287 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -99.12 -3.29 34.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.282 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -81.83 80.87 8.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.283 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -80.1 143.25 34.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 109.627 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -80.26 131.38 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 99.989999999999995 109.304 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 4.1 t -77.65 54.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.345 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.471 HG21 ' CD1' ' A' ' 153' ' ' LEU . 14.9 t -91.69 124.88 36.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.446 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -121.46 139.5 53.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 110.287 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 19.5 mt -118.35 129.44 74.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.248 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.85 168.94 19.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.273 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -44.69 166.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 109.346 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -89.33 85.51 6.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.311 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 20.7 p -59.94 161.77 11.41 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.408 1.067 . . . . 99.989999999999995 110.36 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 108.67 2.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 99.989999999999995 111.02 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 97' ' ' ARG . 4.1 p90 -83.36 145.25 29.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 99.989999999999995 110.969 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.63 118.75 37.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 111.035 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . 0.408 ' CD2' HG23 ' A' ' 24' ' ' VAL . 56.9 m-85 -44.78 143.03 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 111.006 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -98.62 173.45 6.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 109.297 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -44.88 126.53 5.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.322 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -49.06 -24.83 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.266 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -45.83 75.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 109.304 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -72.59 -45.09 60.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.413 1.07 . . . . 99.989999999999995 109.591 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . 0.448 ' C ' ' HG2' ' A' ' 188' ' ' GLN . 0.4 OUTLIER -47.95 122.09 4.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 99.989999999999995 110.264 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.528 ' OE1' ' CB ' ' A' ' 29' ' ' ALA . 4.0 pt20 40.47 57.86 2.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 110.308 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -85.07 -34.32 22.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 110.972 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 6.7 tp -66.2 -23.71 66.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.276 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.562 ' CE1' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -56.95 -34.41 68.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.613 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . 0.496 ' N ' ' CD2' ' A' ' 191' ' ' HIS . 6.9 tttt -67.96 -41.4 82.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.314 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.14 103.13 18.48 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 99.989999999999995 109.369 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -5.08 16.35 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.452 1.764 . . . . 99.989999999999995 110.994 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -94.92 21.25 7.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 110.977 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -99.37 57.12 0.88 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 111.018 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -50.05 157.93 0.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 99.989999999999995 110.915 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 29.2 t -118.43 -59.63 1.86 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 99.989999999999995 108.296 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 148.97 82.57 0.04 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 111.013 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 9.1 pt -139.25 61.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 0.779 . . . . 99.989999999999995 109.319 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 87.62 -41.71 3.09 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 110.994 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -86.34 76.89 2.08 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.01 -0.836 . . . . 99.989999999999995 111.01 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 6.0 tp -44.56 149.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.773 . . . . 99.989999999999995 109.344 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -170.99 52.06 0.19 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.433 1.083 . . . . 99.989999999999995 111.054 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 54.0 t -97.02 -59.7 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.398 0.705 . . . . 99.989999999999995 109.263 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.24 80.15 8.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 109.961 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 50.8 mt -89.46 149.63 42.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 109.326 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 155.71 42.4 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.495 1.787 . . . . 99.989999999999995 110.97 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 151.1 39.45 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 99.989999999999995 110.989 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -49.6 127.62 16.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 99.989999999999995 110.286 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.244 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.062 -0.348 . . . . 99.989999999999995 110.062 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' A' ' 3' ' ' PHE . 0.1 OUTLIER -78.62 129.49 34.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.279 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.605 ' O ' ' CD2' ' A' ' 3' ' ' PHE . 34.2 p90 -104.19 83.03 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 110.983 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -159.46 152.42 21.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 109.324 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -142.68 123.39 14.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 99.989999999999995 109.288 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -108.04 167.76 9.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 109.259 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -119.96 127.46 52.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 109.583 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mp -102.78 177.44 4.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 99.989999999999995 109.295 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.419 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 11.0 p -58.13 145.72 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.276 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.71 169.89 15.83 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 110.032 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -32.93 4.98 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.775 . . . . 99.989999999999995 111.083 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.73 -30.28 66.78 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 109.312 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.58 -33.94 18.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 109.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.57 174.24 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.08 . . . . 99.989999999999995 109.304 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pp -100.02 155.36 36.52 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.406 1.067 . . . . 99.989999999999995 109.299 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 106.24 2.24 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.446 1.761 . . . . 99.989999999999995 111.05 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.451 ' CA ' HG21 ' A' ' 77' ' ' THR . . . -47.37 175.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 110.97 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -122.38 166.44 14.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 99.989999999999995 110.306 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -93.02 35.02 1.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.591 1.182 . . . . 99.989999999999995 109.315 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.3 t -115.08 99.43 52.3 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 99.989999999999995 110.395 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 137.2 21.44 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.505 1.792 . . . . 99.989999999999995 111.1 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.9 tpp -71.09 123.11 88.8 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 111.038 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 126.17 9.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 99.989999999999995 111.016 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.498 HG11 ' CD1' ' A' ' 181' ' ' TYR . 3.8 t -128.07 133.7 66.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.31 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.08 152.24 0.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.276 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -83.14 -40.62 19.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 110.438 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -106.79 134.46 49.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 109.258 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.575 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 13.5 t-80 -46.95 149.26 0.91 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.493 1.12 . . . . 99.989999999999995 109.573 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.471 ' CB ' ' OE1' ' A' ' 188' ' ' GLN . . . -80.65 -25.91 38.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.07 . . . . 99.989999999999995 109.289 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.604 ' CG1' ' CE2' ' A' ' 60' ' ' TRP . 80.6 t -95.56 -67.63 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.258 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -53.71 -40.57 66.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.232 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 73.11 32.1 60.89 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 111.071 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.53 170.82 15.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.776 . . . . 99.989999999999995 109.638 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 m -39.52 135.25 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 110.021 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.32 -56.39 2.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 111.097 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.2 p -70.14 -53.95 15.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.432 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -55.73 124.89 18.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 109.348 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.8 t -119.5 127.85 26.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 109.291 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 146.35 32.86 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.529 1.805 . . . . 99.989999999999995 111.029 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.53 134.16 53.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.574 1.171 . . . . 99.989999999999995 109.344 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.56 -14.53 32.57 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 110.995 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.54 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -104.48 164.53 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 99.989999999999995 110.99 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -141.74 161.63 37.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.355 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.41 HG12 ' CG2' ' A' ' 99' ' ' VAL . 3.2 mt -110.49 155.54 11.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 109.35 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -149.98 130.07 13.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.268 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.556 HG23 ' CD2' ' A' ' 139' ' ' TYR . 15.7 mt -95.9 142.7 13.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.397 1.061 . . . . 99.989999999999995 109.302 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -152.96 143.35 22.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 111.052 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.14 130.34 51.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 99.989999999999995 109.298 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.6 -172.85 3.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 111.063 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -67.87 -78.53 0.28 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 111.006 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.03 82.04 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.292 -1.003 . . . . 99.989999999999995 108.292 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.687 ' CZ ' ' CD1' ' A' ' 53' ' ' TRP . 8.5 p90 -53.06 -19.82 3.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.986 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.687 ' CD1' ' CZ ' ' A' ' 52' ' ' PHE . 4.2 m0 -65.01 -48.54 73.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 108.032 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -73.93 -42.47 37.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 111.014 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.549 HG13 ' CE2' ' A' ' 59' ' ' PHE . 21.9 t -57.65 -61.84 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 99.989999999999995 109.278 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.81 -37.15 29.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.181 . . . . 99.989999999999995 110.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.456 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 4.0 ttp-105 -73.59 -41.19 63.18 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.333 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.416 HD13 ' CG1' ' A' ' 113' ' ' VAL . 0.2 OUTLIER -68.45 -34.61 76.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.281 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.576 ' CD1' HG12 ' A' ' 98' ' ' ILE . 0.7 OUTLIER -60.24 -63.63 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.942 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.604 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -56.75 -53.01 62.7 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.01 -1.108 . . . . 99.989999999999995 108.01 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.551 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 2.4 mm-40 -48.75 -22.39 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 99.989999999999995 110.315 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.465 ' CD1' HG11 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -73.79 138.76 76.77 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 99.989999999999995 109.339 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 109.53 2.95 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.515 1.797 . . . . 99.989999999999995 111.02 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 134.69 -19.01 4.03 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.924 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.0 t -90.86 125.95 43.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 0.768 . . . . 99.989999999999995 109.312 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.54 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -75.2 -57.19 4.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 111.028 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m -158.26 165.22 35.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 110.009 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 37.1 p -133.65 163.2 29.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 110.473 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.585 ' HB1' ' CE1' ' A' ' 181' ' ' TYR . . . -142.67 121.64 12.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.349 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.434 ' CB ' ' OE1' ' A' ' 187' ' ' GLN . . . -88.73 129.0 35.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.272 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.492 ' N ' ' NH2' ' A' ' 97' ' ' ARG . . . -150.33 -166.6 13.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.963 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -127.37 154.24 45.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 0.782 . . . . 99.989999999999995 111.045 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.6 t -161.16 158.03 26.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.396 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.0 -15.18 59.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 111.045 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.454 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -86.75 171.3 43.01 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.037 -0.825 . . . . 99.989999999999995 111.037 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 11.2 m-85 -113.78 -22.13 10.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 0.749 . . . . 99.989999999999995 110.999 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.451 HG21 ' CA ' ' A' ' 17' ' ' GLY . 2.9 m -77.83 125.27 85.85 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.409 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.6 Cg_endo -74.9 161.81 38.38 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.535 1.808 . . . . 99.989999999999995 111.003 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.415 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 4.9 m120 40.3 64.24 4.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.253 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.458 ' HB2' ' CG2' ' A' ' 85' ' ' VAL . 18.4 Cg_endo -74.92 148.52 35.79 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.578 1.83 . . . . 99.989999999999995 111.001 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 39.3 m -107.96 163.21 13.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 99.989999999999995 110.457 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -62.02 -46.58 88.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 110.98 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -40.89 67.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 110.284 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -62.89 -45.14 93.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 99.989999999999995 110.252 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.458 ' CG2' ' HB2' ' A' ' 80' ' ' PRO . 47.3 t -64.45 -40.67 89.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 109.322 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.33 -25.73 36.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.989 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -37.08 81.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.975 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.462 ' CA ' ' OE1' ' A' ' 133' ' ' GLN . . . 81.04 14.74 78.77 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.412 1.07 . . . . 99.989999999999995 111.006 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -89.19 -12.65 40.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 0.78 . . . . 99.989999999999995 109.28 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 67.5 p -89.6 -25.6 21.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 110.362 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.84 17.17 70.86 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 111.015 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.454 ' CG ' ' HA3' ' A' ' 75' ' ' GLY . 60.6 m-70 -80.71 142.6 33.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 99.989999999999995 109.599 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.52 163.77 14.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 109.326 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.94 113.28 20.43 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.283 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.84 162.55 29.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 99.989999999999995 109.295 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.462 ' CG1' ' HB2' ' A' ' 52' ' ' PHE . 27.0 m -140.67 164.94 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 109.265 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.656 ' NE ' ' CD2' ' A' ' 179' ' ' PHE . 0.7 OUTLIER -113.25 142.83 45.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.248 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.576 HG12 ' CD1' ' A' ' 59' ' ' PHE . 3.3 mp -131.29 115.23 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.274 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.41 ' CG2' HG12 ' A' ' 44' ' ' ILE . 93.0 t -113.04 99.76 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 99.989999999999995 109.259 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.638 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 51.2 p90 -128.05 176.87 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.992 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.24 135.87 19.27 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.253 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -2.99 13.26 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.436 1.756 . . . . 99.989999999999995 111.02 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.85 -21.49 15.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 110.041 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 80.1 t -97.69 -49.85 11.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.267 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.484 HG22 ' CD1' ' A' ' 100' ' ' TYR . 2.0 tt -123.77 149.68 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.339 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.0 p -106.37 152.85 23.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.96 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 32.2 p90 -60.14 -31.37 70.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 111.003 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.457 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -61.22 -39.89 91.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 110.283 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -66.7 -46.67 74.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.276 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.638 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 25.4 mt -55.95 -49.58 73.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 109.281 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.22 -44.77 96.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 109.324 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -56.84 -50.86 71.15 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.255 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 62' ' ' LEU . 1.8 t -60.03 -50.57 79.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.313 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.424 ' O ' ' N ' ' A' ' 118' ' ' HIS . 4.4 t80 -54.49 -50.0 68.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 1.076 . . . . 99.989999999999995 110.966 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.494 ' HB3' ' CE1' ' A' ' 156' ' ' PHE . 71.4 m95 -65.29 -21.68 66.75 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.976 -1.12 . . . . 99.989999999999995 107.976 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -85.57 -26.96 25.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 110.326 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 113' ' ' VAL . 8.9 t-20 -104.23 4.34 33.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.585 1.178 . . . . 99.989999999999995 109.286 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.561 ' CD2' ' C ' ' A' ' 118' ' ' HIS . 0.0 OUTLIER -72.47 169.29 16.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 109.606 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.46 147.77 38.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 109.254 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 157.29 42.64 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.493 1.786 . . . . 99.989999999999995 111.006 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -85.77 125.66 33.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.255 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -138.83 51.94 1.8 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 110.265 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 124' ' ' MET . . . 76.72 29.92 56.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 111.005 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 123' ' ' GLY . 0.0 OUTLIER -37.39 -51.32 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 99.989999999999995 111.054 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.1 128.78 36.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 110.295 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.54 169.22 14.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.598 1.186 . . . . 99.989999999999995 110.238 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -40.4 -73.64 0.18 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.984 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -102.49 90.5 3.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 0.742 . . . . 99.989999999999995 109.312 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.463 ' HB2' ' CG2' ' A' ' 132' ' ' THR . 1.1 p30 -84.91 166.86 16.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.303 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -160.54 -41.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 99.989999999999995 109.605 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -85.39 44.1 3.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 110.984 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.463 ' CG2' ' HB2' ' A' ' 129' ' ' ASP . 22.7 p -84.35 -2.68 57.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 99.989999999999995 110.387 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.462 ' OE1' ' CA ' ' A' ' 88' ' ' GLY . 25.2 mm100 -40.29 -55.88 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 99.989999999999995 110.269 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.519 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 35.4 p90 -85.97 128.07 34.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 99.989999999999995 110.997 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -146.01 168.03 21.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 110.248 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.6 m -111.0 131.94 54.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 110.032 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.436 ' HB2' ' CE2' ' A' ' 139' ' ' TYR . . . -163.4 150.8 12.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 109.231 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 8.0 mt -110.74 131.15 62.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.25 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.556 ' CD2' HG23 ' A' ' 46' ' ' ILE . 91.2 m-85 -126.63 79.13 71.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 111.019 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 169.89 21.62 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.504 1.792 . . . . 99.989999999999995 110.992 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -118.59 -45.54 2.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 109.307 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 67.7 p -81.15 160.93 64.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 110.444 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -34.55 3.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.535 1.808 . . . . 99.989999999999995 111.016 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.05 -42.94 83.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 110.346 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -58.8 -45.7 89.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 110.308 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -45.21 87.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.323 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.36 -41.3 96.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 99.989999999999995 109.387 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -67.57 -42.82 81.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.277 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.89 -58.0 9.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 109.318 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 151' ' ' ALA . 14.2 ptt180 -59.41 -31.95 69.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 110.228 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.405 ' N ' ' HG3' ' A' ' 150' ' ' ARG . . . -62.38 -43.83 97.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.249 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 91.9 p -69.53 -49.06 57.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 109.986 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 4.7 tt -53.81 -53.05 57.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.331 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -55.67 -30.97 61.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.32 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -81.07 -35.93 31.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 99.989999999999995 110.282 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.494 ' CE1' ' HB3' ' A' ' 115' ' ' TRP . 0.3 OUTLIER -75.48 -46.89 29.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 99.989999999999995 110.974 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.77 -35.08 77.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 99.989999999999995 110.4 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -70.08 -45.98 65.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.3 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.81 -45.36 94.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 99.989999999999995 109.323 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -59.45 -46.9 87.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 110.999 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -31.9 72.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.14 -18.66 63.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.266 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.45 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -80.33 -4.88 55.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.609 1.193 . . . . 99.989999999999995 109.281 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 5.7 t70 77.68 21.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.406 1.066 . . . . 99.989999999999995 109.257 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.2 136.47 40.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.249 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.65 12.29 28.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 109.25 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.18 81.93 5.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 99.989999999999995 110.25 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -72.86 144.3 47.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 109.639 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 170' ' ' THR . 3.1 mp -67.57 142.08 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 109.285 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' THR . . . . . 0.406 ' N ' HG22 ' A' ' 169' ' ' ILE . 9.5 t -87.92 41.93 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 99.989999999999995 110.434 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.438 HG22 ' CH2' ' A' ' 115' ' ' TRP . 8.6 m -94.07 124.84 38.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 99.989999999999995 110.38 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -122.17 140.01 53.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 99.989999999999995 110.234 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 23.2 mt -111.72 121.18 63.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 109.247 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -149.34 164.61 34.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 109.295 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -42.15 162.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 99.989999999999995 109.293 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -85.43 83.43 7.94 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.294 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -60.61 163.14 9.71 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.61 1.194 . . . . 99.989999999999995 110.412 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 131.42 14.2 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.778 . . . . 99.989999999999995 110.994 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.656 ' CD2' ' NE ' ' A' ' 97' ' ' ARG . 17.9 p90 -100.2 144.9 28.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.431 1.082 . . . . 99.989999999999995 111.022 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -104.75 106.22 16.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 111.009 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . 0.585 ' CE1' ' HB1' ' A' ' 69' ' ' ALA . 0.6 OUTLIER -38.16 143.76 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 99.989999999999995 111.031 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.466 ' O ' ' CG2' ' A' ' 24' ' ' VAL . . . -103.35 174.04 6.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 99.989999999999995 109.271 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -46.3 143.98 2.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 110.318 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 13.0 p30 -64.31 -22.81 67.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 99.989999999999995 109.303 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -64.97 -38.68 91.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 99.989999999999995 109.302 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -69.02 -40.12 78.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.589 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . 0.434 ' OE1' ' CB ' ' A' ' 70' ' ' ALA . 2.6 mp0 -49.01 116.37 1.64 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 99.989999999999995 110.316 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.575 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 10.2 mp0 46.34 54.53 8.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 110.27 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.452 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 6.4 t80 -85.34 -31.19 23.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 111.049 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 8.2 tp -76.22 -39.92 53.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.279 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.502 ' CG ' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -56.46 -30.66 63.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.631 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -65.8 -38.17 88.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 109.339 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.57 ' HB2' ' CE2' ' A' ' 195' ' ' TYR . 0.1 OUTLIER -138.35 101.15 8.34 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 109.307 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 0.42 8.89 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.464 1.771 . . . . 99.989999999999995 110.992 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 193' ' ' ASN . 24.9 p90 -98.48 15.94 23.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 110.981 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -112.63 44.08 1.58 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.398 1.061 . . . . 99.989999999999995 111.024 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -65.95 130.99 45.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 0.749 . . . . 99.989999999999995 110.987 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 2.5 p -136.61 140.78 43.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 108.281 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 64.23 -85.25 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 111.043 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 2.0 pt -61.45 97.82 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 99.989999999999995 109.333 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -110.57 54.63 0.53 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.969 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -121.61 153.39 16.72 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.012 -0.835 . . . . 99.989999999999995 111.012 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 8.8 tt -68.78 -16.3 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.752 . . . . 99.989999999999995 109.314 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 46.1 -115.08 1.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 110.937 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 24.7 t -116.34 -42.59 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 99.989999999999995 109.268 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 2.6 t -58.79 162.07 4.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.941 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 45.8 mt -95.42 151.18 38.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.344 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.08 152.43 40.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.449 1.763 . . . . 99.989999999999995 110.932 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 167.66 26.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.477 1.777 . . . . 99.989999999999995 110.988 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.75 170.23 12.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 110.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 99.989999999999995 109.236 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.056 -0.35 . . . . 99.989999999999995 110.056 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.27 -59.88 2.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 99.989999999999995 109.279 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -158.83 172.29 18.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 110.985 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -147.82 101.88 3.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 99.989999999999995 109.304 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.4 60.48 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.302 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.29 99.84 9.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.332 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -138.41 15.64 2.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.597 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.94 173.28 7.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 109.282 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 p -54.85 148.62 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.392 1.057 . . . . 99.989999999999995 109.318 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -77.36 157.0 81.04 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 99.989999999999995 110.068 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -26.82 10.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.487 1.783 . . . . 99.989999999999995 110.993 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.35 -23.77 54.2 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 109.37 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.0 -39.38 13.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 99.989999999999995 109.302 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.95 89.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 99.989999999999995 109.332 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.1 158.09 65.69 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 109.256 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 111.45 3.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.483 1.78 . . . . 99.989999999999995 111.008 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.95 -117.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.406 1.066 . . . . 99.989999999999995 110.939 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.39 166.43 21.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 99.989999999999995 110.294 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -109.2 34.47 3.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.319 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.0 m -109.11 100.42 40.44 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.407 1.067 . . . . 99.989999999999995 110.484 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 138.34 22.9 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.513 1.797 . . . . 99.989999999999995 110.981 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.04 145.18 73.21 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 99.989999999999995 111.029 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 131.63 14.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.491 1.785 . . . . 99.989999999999995 110.98 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.4 t -121.52 128.21 75.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.274 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.79 150.27 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.356 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.3 m -77.36 -44.42 29.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 110.445 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.01 134.2 49.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 99.989999999999995 109.301 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.57 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 15.2 t-80 -48.95 155.16 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.63 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.3 -27.79 27.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 109.336 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.622 HG12 ' CE2' ' A' ' 60' ' ' TRP . 43.1 t -91.21 -68.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.292 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -54.5 -39.98 68.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.17 . . . . 99.989999999999995 109.316 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.25 23.33 76.09 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.994 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -132.78 170.92 14.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 0.725 . . . . 99.989999999999995 109.587 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -39.14 138.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.067 . . . . 99.989999999999995 110.007 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.409 ' HE1' ' NE2' ' A' ' 187' ' ' GLN . 0.0 OUTLIER -97.65 -65.02 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.99 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.7 p -63.55 -51.74 64.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 99.989999999999995 110.407 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -54.92 129.22 36.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.346 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 t -126.16 115.59 23.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.268 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 147.13 33.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.413 1.743 . . . . 99.989999999999995 110.967 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.11 131.01 36.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.4 -4.45 31.28 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 110.958 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.477 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -111.7 150.36 30.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 0.767 . . . . 99.989999999999995 111.045 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.73 165.33 20.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.323 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mt -121.69 155.58 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.311 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -149.66 145.28 26.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.397 1.061 . . . . 99.989999999999995 109.299 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 93.5 mt -118.97 128.43 75.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 99.989999999999995 109.246 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -137.92 151.49 48.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 110.922 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -130.46 121.19 25.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.297 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.435 ' HE1' ' CD2' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -137.39 155.21 49.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 111.031 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.56 -75.45 0.15 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.512 1.133 . . . . 99.989999999999995 110.96 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.464 ' HB2' ' CD1' ' A' ' 200' ' ' ILE . 4.1 p -76.59 59.4 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.262 -1.014 . . . . 99.989999999999995 108.262 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.491 ' CD1' ' N ' ' A' ' 53' ' ' TRP . 9.0 p90 -50.81 -37.37 42.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.991 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.796 ' CH2' ' CD1' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -61.94 -51.01 69.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 108.046 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.495 ' CA ' HD11 ' A' ' 200' ' ' ILE . . . -70.99 -31.6 66.73 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.13 . . . . 99.989999999999995 111.007 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.471 ' HA ' ' CD2' ' A' ' 58' ' ' LEU . 73.2 t -65.14 -54.0 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 0.8 . . . . 99.989999999999995 109.306 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -40.72 51.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.292 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.495 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 1.4 ttt180 -68.36 -36.72 79.62 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.396 1.06 . . . . 99.989999999999995 110.37 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -71.78 -33.63 68.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.296 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.549 ' CZ ' HD11 ' A' ' 98' ' ' ILE . 1.0 OUTLIER -60.01 -63.61 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 99.989999999999995 110.973 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.622 ' CE2' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -56.58 -49.79 73.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 99.989999999999995 108.026 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.612 ' OE1' ' CZ2' ' A' ' 60' ' ' TRP . 11.4 mm100 -51.52 -20.34 1.86 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.587 1.179 . . . . 99.989999999999995 110.228 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.426 ' CD2' ' HD2' ' A' ' 63' ' ' PRO . 0.6 OUTLIER -76.99 140.35 66.54 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.292 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.426 ' HD2' ' CD2' ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.04 111.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 99.989999999999995 110.966 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.91 -17.18 4.65 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.415 1.072 . . . . 99.989999999999995 111.014 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 60' ' ' TRP . 27.2 t -89.52 121.11 39.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 99.989999999999995 109.256 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.477 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 1.1 t80 -78.1 -56.2 4.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.956 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.0 m -148.23 165.65 30.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 99.989999999999995 109.984 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.49 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 82.7 p -144.65 167.3 22.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 110.433 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.71 130.07 8.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.279 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.41 132.65 36.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.265 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' ALA . . . -158.23 -161.43 10.99 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 111.039 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.524 ' N ' ' CD1' ' A' ' 72' ' ' TYR . 0.6 OUTLIER -146.0 160.69 41.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 0.739 . . . . 99.989999999999995 110.978 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.491 ' OG1' ' CG2' ' A' ' 177' ' ' THR . 6.0 t -166.44 170.9 12.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.355 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.11 -18.89 56.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.995 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.576 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -79.69 -169.67 38.9 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.958 -0.857 . . . . 99.989999999999995 110.958 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -115.06 -31.39 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 0.728 . . . . 99.989999999999995 111.024 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.404 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 4.2 m -74.56 124.47 89.78 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.567 1.167 . . . . 99.989999999999995 110.393 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.87 147.5 34.64 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 99.989999999999995 111.08 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 49.7 65.23 7.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 109.307 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.45 ' HB2' ' CG2' ' A' ' 85' ' ' VAL . 18.3 Cg_endo -74.95 158.48 42.38 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.429 1.752 . . . . 99.989999999999995 110.971 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.482 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 20.5 m -116.43 158.34 23.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.438 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -65.44 -29.6 70.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 111.0 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -51.48 55.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 110.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 14.3 pt-20 -73.57 -44.5 57.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.308 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 81' ' ' THR . 52.3 t -55.52 -38.68 50.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.174 . . . . 99.989999999999995 109.262 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.1 t -56.2 -34.06 65.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 109.996 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.66 -39.43 84.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 110.015 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.07 15.14 63.23 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.978 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -95.06 19.31 10.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 0.816 . . . . 99.989999999999995 109.347 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.6 p -115.14 -12.77 11.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 110.341 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.79 6.2 58.94 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 111.009 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.576 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 26.4 m-70 -79.77 154.5 28.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.784 . . . . 99.989999999999995 109.6 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -121.38 163.36 18.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 109.295 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 3.1 mm-40 -82.05 112.13 18.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 71' ' ' GLY . . . -131.5 153.31 49.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.363 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 71.8 t -137.61 141.52 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.26 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.564 ' HB2' ' CE1' ' A' ' 179' ' ' PHE . 27.3 ttp180 -92.31 136.83 32.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 99.989999999999995 110.234 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.549 HD11 ' CZ ' ' A' ' 59' ' ' PHE . 3.3 mp -128.17 121.79 56.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 109.32 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.9 t -109.14 101.13 12.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 109.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.554 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 8.1 p90 -125.75 170.32 11.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.967 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -104.21 134.82 19.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.321 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -1.27 11.02 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 99.989999999999995 110.988 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.18 -13.66 23.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.979 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.9 t -114.03 -48.49 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.278 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.443 HG22 ' CD1' ' A' ' 100' ' ' TYR . 4.9 tp -123.24 142.15 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.589 1.181 . . . . 99.989999999999995 109.324 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.2 p -109.19 157.74 18.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 99.989999999999995 110.033 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.565 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 4.8 p90 -61.38 -30.69 70.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 110.99 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.565 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.6 tt0 -66.67 -33.53 75.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 110.328 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -75.29 -45.39 40.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 110.322 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.554 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 46.7 mt -56.84 -41.57 78.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.303 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.547 ' HB3' ' CZ2' ' A' ' 115' ' ' TRP . 18.3 mt -68.63 -44.87 73.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.307 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.41 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 1.4 tt0 -53.74 -45.61 70.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 110.302 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 114' ' ' PHE . 0.4 OUTLIER -70.32 -39.2 76.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 109.254 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.435 ' CD2' ' HE1' ' A' ' 49' ' ' MET . 12.4 t80 -56.74 -37.79 71.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 111.026 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.558 ' CZ2' ' OG ' ' A' ' 152' ' ' SER . 5.8 m0 -71.58 -17.73 62.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.987 -1.116 . . . . 99.989999999999995 107.987 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -84.12 -35.35 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 99.989999999999995 110.249 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.452 ' ND2' ' CD2' ' A' ' 58' ' ' LEU . 4.0 t-20 -91.06 -21.35 21.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.083 . . . . 99.989999999999995 109.268 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.6 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 13.1 t-80 -65.43 146.57 54.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 109.619 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.6 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 3.5 m-20 -107.48 152.22 41.26 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.244 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 173.03 15.22 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 99.989999999999995 111.014 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -81.35 119.96 24.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.413 1.071 . . . . 99.989999999999995 109.3 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.94 50.68 1.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.302 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 44.76 86.0 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 111.019 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 5.2 ttp -103.91 -57.19 2.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 0.716 . . . . 99.989999999999995 111.014 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -73.95 128.47 35.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 110.266 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -135.57 178.75 6.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.255 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -97.71 50.11 1.41 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 111.047 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -152.73 -58.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 99.989999999999995 109.284 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.76 132.82 48.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.425 1.078 . . . . 99.989999999999995 109.298 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -122.55 104.57 9.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 109.567 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.629 ' O ' ' CE2' ' A' ' 134' ' ' TYR . . . 157.92 54.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 111.057 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.54 ' HA ' ' CE1' ' A' ' 134' ' ' TYR . 18.2 p -74.43 0.93 13.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.601 0.824 . . . . 99.989999999999995 110.38 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 132' ' ' THR . 0.9 OUTLIER -36.98 -32.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 110.295 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.629 ' CE2' ' O ' ' A' ' 131' ' ' GLY . 0.3 OUTLIER -87.09 39.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.975 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 132' ' ' THR . 0.4 OUTLIER -75.21 150.95 38.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.266 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.5 p -102.23 121.91 43.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.97 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -151.07 162.13 41.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.312 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 44.7 mt -120.88 132.84 69.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.083 . . . . 99.989999999999995 109.322 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -126.46 81.23 68.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 111.113 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 168.17 25.44 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.792 . . . . 99.989999999999995 110.964 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.9 mp -116.14 -37.99 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 99.989999999999995 109.316 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 64.3 p -90.15 159.15 42.9 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 110.401 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -36.15 2.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 99.989999999999995 110.988 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -64.24 -37.74 88.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.273 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -71.48 -32.22 68.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.301 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -47.12 70.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 109.264 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.86 87.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 99.989999999999995 109.317 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.3 -43.15 67.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 109.325 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.02 -58.98 6.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 109.306 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -59.16 -31.09 68.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 110.283 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -63.42 -35.6 80.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.276 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.558 ' OG ' ' CZ2' ' A' ' 115' ' ' TRP . 1.4 m -65.22 -42.52 93.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.982 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 8.0 tt -61.62 -42.45 98.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 109.272 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -62.42 -45.57 92.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 99.989999999999995 110.358 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -70.45 -31.95 69.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 110.298 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.78 -41.28 92.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 110.971 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.447 ' O ' ' CG ' ' A' ' 160' ' ' MET . 17.7 tt0 -65.59 -45.03 84.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 99.989999999999995 110.319 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.08 -31.72 68.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 99.989999999999995 109.251 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.4 -48.77 76.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 109.267 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.481 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 3.1 ptt? -68.11 -32.95 73.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 99.989999999999995 110.977 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.481 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.0 OUTLIER -60.93 -43.42 98.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 109.318 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.59 -22.15 66.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 1.073 . . . . 99.989999999999995 109.326 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -80.89 -6.1 58.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.31 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.4 OUTLIER 75.4 29.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 109.307 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -116.0 108.66 16.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.166 . . . . 99.989999999999995 109.346 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -87.56 47.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 109.333 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.58 93.82 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.364 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -62.63 145.78 53.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 109.601 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 170' ' ' THR . 2.9 mp -82.31 149.91 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 99.989999999999995 109.299 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' THR . . . . . 0.418 ' N ' HG22 ' A' ' 169' ' ' ILE . 20.0 m -91.16 43.13 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 110.474 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.4 m -91.31 124.77 35.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.574 1.172 . . . . 99.989999999999995 110.397 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.67 145.81 49.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 110.308 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 6.1 mt -119.49 127.02 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 99.989999999999995 109.32 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -142.64 165.2 28.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.277 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -48.97 162.22 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.42 1.075 . . . . 99.989999999999995 109.309 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -87.41 82.07 7.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.31 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' THR . . . . . 0.491 ' CG2' ' OG1' ' A' ' 73' ' ' THR . 0.5 OUTLIER -71.62 161.62 77.55 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 110.444 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 98.71 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.573 1.828 . . . . 99.989999999999995 111.033 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 0.4 OUTLIER -77.51 145.31 37.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.989 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -89.8 126.45 35.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 111.039 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -48.07 170.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 99.989999999999995 111.03 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -118.17 174.73 6.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -50.82 141.53 13.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 99.989999999999995 110.289 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -59.99 -28.8 68.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 99.989999999999995 109.321 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -35.73 81.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 109.241 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -79.33 -35.03 41.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.618 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . 0.409 ' NE2' ' HE1' ' A' ' 35' ' ' MET . 20.9 mm100 -50.1 112.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 110.338 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.449 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 7.2 mp0 45.54 56.73 5.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 110.249 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.796 ' CD1' ' CH2' ' A' ' 53' ' ' TRP . 13.1 t80 -85.46 -32.31 22.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 111.045 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.486 ' CD1' ' HA2' ' A' ' 54' ' ' GLY . 0.4 OUTLIER -73.73 -34.69 64.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.291 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -31.27 63.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.652 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -66.32 -27.18 67.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 109.324 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.97 97.87 10.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.282 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 2.39 6.69 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.777 . . . . 99.989999999999995 111.036 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -87.58 22.12 2.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 99.989999999999995 110.958 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -119.6 131.74 9.13 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.443 1.089 . . . . 99.989999999999995 111.07 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -89.83 160.43 16.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 0.765 . . . . 99.989999999999995 110.962 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 200' ' ' ILE . 20.7 t -57.38 -18.79 19.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 108.322 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -68.6 59.01 0.48 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 111.02 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . 0.495 HD11 ' CA ' ' A' ' 54' ' ' GLY . 1.8 mt -87.64 114.12 25.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.557 0.798 . . . . 99.989999999999995 109.299 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -164.56 -44.43 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 111.016 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -37.89 110.91 0.13 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.015 -0.834 . . . . 99.989999999999995 111.015 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -64.37 -52.45 55.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.474 0.75 . . . . 99.989999999999995 109.328 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 70.21 173.74 13.13 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 110.948 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 18.2 m -50.05 128.32 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 99.989999999999995 109.364 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 30.2 p -103.95 145.49 30.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 110.02 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 16.3 mt -95.11 140.63 22.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.317 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 142.62 27.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.484 1.781 . . . . 99.989999999999995 110.966 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 179.38 6.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.445 1.76 . . . . 99.989999999999995 111.048 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -43.75 134.39 4.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 110.319 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.277 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.03 -0.359 . . . . 99.989999999999995 110.03 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -79.57 159.92 26.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.293 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -137.95 171.52 14.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 111.001 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -145.72 171.25 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.255 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 162.81 26.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.309 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -107.41 81.55 1.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.34 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -130.16 37.56 3.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 99.989999999999995 109.629 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.15 -154.18 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.285 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 p -61.25 154.5 4.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.282 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.3 m -68.15 156.37 90.04 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.019 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -17.0 19.92 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.502 1.791 . . . . 99.989999999999995 111.017 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.99 -24.12 61.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.285 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.08 -39.81 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.331 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.98 98.29 7.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 109.336 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -100.26 160.32 27.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.243 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 99.08 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.463 1.77 . . . . 99.989999999999995 110.925 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.62 -91.83 0.02 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 110.968 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -135.75 155.55 50.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 0.742 . . . . 99.989999999999995 110.23 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -101.38 30.2 4.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.288 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.448 ' O ' ' CB ' ' A' ' 79' ' ' ASN . 20.1 p -122.62 145.42 44.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 99.989999999999995 110.431 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 150.23 37.88 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 99.989999999999995 111.036 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.0 mtp -70.56 150.67 95.55 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 99.989999999999995 110.989 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 124.8 8.89 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.443 1.759 . . . . 99.989999999999995 111.054 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 49.8 t -137.46 140.01 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.275 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.38 150.46 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 109.291 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.3 m -77.45 -42.81 34.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.393 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.93 131.81 54.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 99.989999999999995 109.297 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.561 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 15.4 t-80 -50.71 155.93 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 109.609 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.455 ' HB2' ' CB ' ' A' ' 188' ' ' GLN . . . -84.9 -27.39 26.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.247 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.592 HG12 ' CE2' ' A' ' 60' ' ' TRP . 51.9 t -91.8 -67.4 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.254 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 11.6 t30 -55.83 -40.34 72.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 109.316 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.2 20.04 70.7 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.568 1.168 . . . . 99.989999999999995 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -134.15 170.26 15.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 0.738 . . . . 99.989999999999995 109.592 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' HIS . 11.4 m -39.38 145.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.019 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.18 -38.86 9.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 111.01 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 t -90.73 20.34 4.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 110.384 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -93.94 127.35 39.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.283 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.4 t -137.58 99.78 9.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 109.241 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 134.92 18.31 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 99.989999999999995 110.953 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.65 125.1 2.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 99.989999999999995 109.326 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.29 1.01 31.31 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.443 1.089 . . . . 99.989999999999995 110.97 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -104.09 165.64 10.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 0.747 . . . . 99.989999999999995 110.979 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.62 152.61 42.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 99.989999999999995 110.285 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mt -104.95 148.98 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.286 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -138.11 131.92 31.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.36 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.613 ' CG2' ' CE2' ' A' ' 179' ' ' PHE . 97.1 mt -120.52 135.19 61.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 109.252 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.4 ' CE2' HG22 ' A' ' 138' ' ' ILE . 78.5 m-85 -146.38 165.33 29.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 110.982 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -139.41 133.04 30.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 99.989999999999995 109.227 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.503 ' SD ' ' CE1' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -149.42 -172.25 4.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 111.04 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' PHE . . . -69.96 -80.97 0.25 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.961 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 1.214 ' SG ' ' SG ' ' A' ' 198' ' ' CYS . 0.1 OUTLIER -62.08 82.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.267 -1.012 . . . . 99.989999999999995 108.267 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.709 ' CE1' ' CG1' ' A' ' 96' ' ' VAL . 73.7 t80 -61.34 -28.15 69.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 111.015 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.464 ' HB3' ' CG ' ' A' ' 190' ' ' LEU . 8.3 m0 -82.39 -40.43 21.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 99.989999999999995 107.982 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.23 -28.37 62.19 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.491 1.12 . . . . 99.989999999999995 110.965 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 51' ' ' CYS . 42.9 t -66.31 -60.36 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 0.785 . . . . 99.989999999999995 109.279 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 59' ' ' PHE . 12.5 pt-20 -49.24 -38.76 27.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 110.272 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.536 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 7.6 mmp_? -70.46 -38.47 74.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 99.989999999999995 110.307 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.87 -20.12 66.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 109.271 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.572 ' CE2' ' CD1' ' A' ' 98' ' ' ILE . 2.1 m-85 -81.94 -53.73 5.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 110.994 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.645 ' CZ2' ' NE2' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -70.19 -50.98 34.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 108.006 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.645 ' NE2' ' CZ2' ' A' ' 60' ' ' TRP . 1.4 mm-40 -50.34 -20.79 1.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 110.315 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.4 HD23 ' CD1' ' A' ' 105' ' ' ILE . 0.3 OUTLIER -81.09 139.81 49.4 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 109.331 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 108.6 2.75 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.469 1.773 . . . . 99.989999999999995 111.072 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.07 -21.83 2.96 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 111.017 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 59' ' ' PHE . 41.4 t -85.99 123.07 39.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 99.989999999999995 109.272 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.404 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 9.1 t80 -81.18 -55.28 4.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 111.008 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 m -147.23 165.81 28.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 110.001 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.5 p -147.97 160.82 42.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 110.404 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.508 ' HB3' ' CE1' ' A' ' 181' ' ' TYR . . . -148.8 142.65 25.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.338 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . . . -102.16 127.43 49.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.269 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 95' ' ' ALA . . . -141.81 -170.77 12.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.145 . . . . 99.989999999999995 111.006 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.577 ' CE1' HG13 ' A' ' 85' ' ' VAL . 93.0 m-85 -124.96 153.76 42.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 99.989999999999995 111.025 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.586 HG21 ' CZ ' ' A' ' 179' ' ' PHE . 8.8 t -153.19 162.07 41.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 110.449 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.61 -11.84 54.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 111.043 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.565 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -80.72 169.47 52.27 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.016 -0.834 . . . . 99.989999999999995 111.016 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -114.76 -18.92 11.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 99.989999999999995 111.068 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.483 ' CG2' ' HB3' ' A' ' 80' ' ' PRO . 94.8 m -77.92 131.03 71.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 110.358 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.4 Cg_endo -75.02 119.33 5.6 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.508 1.794 . . . . 99.989999999999995 110.97 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.448 ' CB ' ' O ' ' A' ' 20' ' ' THR . 45.0 m-80 40.01 65.68 3.66 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.283 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.565 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.97 177.34 8.71 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.556 1.819 . . . . 99.989999999999995 111.06 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.45 ' OG1' ' CB ' ' A' ' 84' ' ' GLU . 71.8 p -95.39 152.73 18.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 110.356 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -54.16 -45.42 72.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 110.98 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -35.29 79.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 110.287 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.483 ' HG2' ' CG2' ' A' ' 90' ' ' THR . 38.6 tt0 -72.36 -34.02 67.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 110.278 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.577 HG13 ' CE1' ' A' ' 72' ' ' TYR . 3.2 t -70.09 -40.01 77.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.275 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.3 p -63.96 -27.44 69.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 99.989999999999995 109.999 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 53.7 m -62.47 -36.26 81.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 99.989999999999995 110.002 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.36 15.76 61.65 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 110.987 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -91.89 -0.26 57.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 0.744 . . . . 99.989999999999995 109.301 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.483 ' CG2' ' HG2' ' A' ' 84' ' ' GLU . 12.4 p -108.26 -25.32 11.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 110.418 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.38 25.04 69.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 111.031 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.565 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 29.7 m-70 -83.09 145.8 29.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 0.774 . . . . 99.989999999999995 109.648 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -116.6 159.17 22.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 99.989999999999995 109.319 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.58 ' CG ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -76.76 111.04 11.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 110.253 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.458 ' HB3' ' CD2' ' A' ' 179' ' ' PHE . . . -142.77 151.13 40.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 109.27 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.709 ' CG1' ' CE1' ' A' ' 52' ' ' PHE . 10.4 m -142.38 149.2 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 109.313 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.8 144.85 30.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 99.989999999999995 110.302 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.572 ' CD1' ' CE2' ' A' ' 59' ' ' PHE . 4.5 mp -134.15 134.13 55.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 99.989999999999995 109.261 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.2 t -113.46 102.49 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 99.989999999999995 109.346 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -120.47 179.54 4.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 110.986 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.82 131.27 21.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 99.989999999999995 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -3.14 13.49 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.519 1.799 . . . . 99.989999999999995 111.011 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 t -95.21 -26.87 15.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 110.03 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.4 t -85.65 -49.14 15.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 109.327 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.4 ' CD1' HD23 ' A' ' 62' ' ' LEU . 14.8 tt -131.64 155.61 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 109.327 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 92.9 p -101.09 152.06 21.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.04 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.605 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 25.3 p90 -56.73 -37.37 70.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 110.993 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.605 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 20.4 pt-20 -61.82 -39.45 91.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.301 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -59.58 -47.03 87.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 110.249 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 18.6 mt -59.74 -39.84 86.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.274 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.48 ' O ' ' CD2' ' A' ' 115' ' ' TRP . 4.5 mt -69.86 -29.43 66.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.235 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.555 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 2.9 tt0 -58.1 -50.87 71.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.271 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -73.03 -34.39 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.32 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.523 ' CZ ' HG12 ' A' ' 138' ' ' ILE . 87.0 t80 -54.13 -38.06 65.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.178 . . . . 99.989999999999995 110.999 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.555 ' CE3' ' HA ' ' A' ' 112' ' ' GLN . 3.9 m0 -74.72 -25.96 59.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 99.989999999999995 108.05 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -80.88 -36.05 31.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 110.268 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.464 ' HB2' ' CE ' ' A' ' 49' ' ' MET . 34.2 m120 -93.59 5.34 51.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.512 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -72.65 171.75 11.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 99.989999999999995 109.603 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.512 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 0.9 OUTLIER -114.8 146.27 35.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.267 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 156.5 42.7 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.811 . . . . 99.989999999999995 110.98 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -87.02 134.3 33.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.299 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.26 35.77 4.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.244 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.13 26.81 61.18 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 111.035 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.3 107.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 99.989999999999995 111.006 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -133.31 169.76 16.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 110.26 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.9 pm0 -94.06 145.95 24.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 110.299 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 129.9 -109.76 0.98 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 111.012 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.68 76.82 8.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 0.811 . . . . 99.989999999999995 109.272 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -159.54 169.29 24.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.316 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.43 71.46 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 109.551 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -139.69 29.72 2.45 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 110.978 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 40.2 p -83.74 -40.7 18.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 99.989999999999995 110.42 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -46.66 -47.67 20.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 110.258 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.425 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 25.7 p90 -117.97 127.72 54.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 111.03 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -144.35 128.35 17.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.085 . . . . 99.989999999999995 110.273 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.6 m -64.81 107.79 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 99.989999999999995 109.998 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -142.85 144.72 32.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.393 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.523 HG12 ' CZ ' ' A' ' 114' ' ' PHE . 50.2 mt -110.07 132.95 56.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -126.92 80.84 70.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 111.001 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 167.37 27.16 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.456 1.766 . . . . 99.989999999999995 111.003 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 7.1 mt -108.64 -56.7 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.283 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.4 p -76.68 163.99 62.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 110.411 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -35.55 3.05 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.546 1.814 . . . . 99.989999999999995 111.035 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.89 -36.41 74.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 110.372 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.423 ' HG2' ' CB ' ' A' ' 107' ' ' TYR . 45.9 mt-30 -72.98 -43.98 61.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 110.261 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.72 -43.06 72.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.254 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.98 -50.21 43.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 99.989999999999995 109.332 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -55.97 -48.02 76.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 109.27 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.84 -58.46 7.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.367 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -56.05 -39.04 71.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.306 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.3 -45.5 80.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.312 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.515 ' CB ' ' CZ2' ' A' ' 115' ' ' TRP . 7.8 p -69.01 -42.15 76.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 99.989999999999995 109.957 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.469 ' C ' ' CD2' ' A' ' 153' ' ' LEU . 3.5 tt -58.68 -52.45 65.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 109.214 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.13 -29.89 70.65 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 110.34 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -75.93 -53.93 7.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 110.25 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -54.55 -46.37 73.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.971 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -59.39 -46.93 87.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 110.221 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.07 81.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 109.313 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.22 -43.6 95.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 99.989999999999995 109.28 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 9.8 ttp -62.58 -37.93 88.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 111.071 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -39.61 94.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 109.331 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.52 -20.26 64.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 109.318 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -77.15 -7.57 56.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.288 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.4 t70 81.79 24.87 0.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 109.255 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.05 122.13 45.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.29 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -92.24 7.54 42.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 99.989999999999995 109.328 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -83.27 75.66 9.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.34 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.436 ' NE2' ' O ' ' A' ' 169' ' ' ILE . 3.0 t-80 -61.72 140.44 58.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.565 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.436 ' O ' ' NE2' ' A' ' 168' ' ' HIS . 1.0 OUTLIER -79.29 142.47 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 109.279 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 1.5 t -92.81 56.24 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.378 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 5.4 p -90.41 124.72 35.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.409 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -121.68 133.46 54.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 110.36 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 21.6 mt -109.4 121.85 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 99.989999999999995 109.268 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -137.07 168.29 19.88 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.292 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -54.05 163.18 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 109.304 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -93.0 67.0 4.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 109.314 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' THR . . . . . 0.405 ' OG1' ' HD2' ' A' ' 178' ' ' PRO . 0.5 OUTLIER -59.6 163.95 6.2 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.404 1.065 . . . . 99.989999999999995 110.364 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . 0.405 ' HD2' ' OG1' ' A' ' 177' ' ' THR . 18.0 Cg_endo -75.0 105.68 2.13 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.44 1.758 . . . . 99.989999999999995 110.93 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.613 ' CE2' ' CG2' ' A' ' 46' ' ' ILE . 10.7 m-30 -85.28 147.37 26.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.082 . . . . 99.989999999999995 111.012 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . 0.409 ' O ' ' O ' ' A' ' 181' ' ' TYR . 59.8 m-85 -88.68 119.22 28.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.991 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . 0.508 ' CE1' ' HB3' ' A' ' 69' ' ' ALA . 18.2 m-85 -46.51 174.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 111.009 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -118.55 173.99 6.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 109.288 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.473 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 0.4 OUTLIER -42.55 132.55 3.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.286 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -55.39 -23.15 23.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 99.989999999999995 109.311 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.83 -44.01 82.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 99.989999999999995 109.339 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . 0.473 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 75.7 m-70 -68.48 -37.43 80.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.598 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -49.47 108.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 110.349 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.455 ' CB ' ' HB2' ' A' ' 29' ' ' ALA . 4.8 mp0 59.49 44.96 14.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 110.278 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.554 ' C ' ' CD1' ' A' ' 189' ' ' TYR . 0.6 OUTLIER -85.14 -24.43 27.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.968 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.464 ' CG ' ' HB3' ' A' ' 53' ' ' TRP . 0.4 OUTLIER -74.58 -46.56 37.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 109.262 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.432 ' N ' ' HD2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -65.21 -29.03 69.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 99.989999999999995 109.574 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.87 -29.59 70.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 109.278 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.3 OUTLIER -139.05 108.72 7.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.343 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -3.64 14.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.415 1.745 . . . . 99.989999999999995 110.96 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -97.47 23.63 7.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 111.056 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -120.94 46.95 1.06 Allowed Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.549 1.155 . . . . 99.989999999999995 110.992 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' A' ' 197' ' ' TYR . 50.9 p90 -82.32 118.5 23.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 99.989999999999995 111.008 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . 1.214 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 5.0 p -87.91 55.09 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 108.272 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 38.31 76.74 0.07 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 111.033 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 86.6 mt -88.27 138.1 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.795 . . . . 99.989999999999995 109.3 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 109.67 -66.26 0.24 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.567 1.167 . . . . 99.989999999999995 110.945 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -172.14 115.95 0.6 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.046 -0.822 . . . . 99.989999999999995 111.046 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 2.1 pp -57.51 159.4 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 99.989999999999995 109.352 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -74.11 -90.58 0.16 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 111.031 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 29.4 m -125.5 121.67 60.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 99.989999999999995 109.321 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 44.2 t -52.43 101.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 110.015 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 66.4 mt -70.1 155.17 93.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.27 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 154.61 42.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.51 1.795 . . . . 99.989999999999995 111.019 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -174.64 2.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.512 1.796 . . . . 99.989999999999995 110.954 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.83 -23.69 52.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 110.289 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 109.272 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.2 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.004 -0.369 . . . . 99.989999999999995 110.004 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 31.4 tp -63.67 146.26 54.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.283 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -153.6 179.95 8.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 99.989999999999995 110.989 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -84.59 179.6 7.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.282 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.09 163.14 12.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.275 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.411 ' NZ ' ' HG2' ' A' ' 172' ' ' GLU . 0.0 OUTLIER -91.16 169.59 10.72 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 109.26 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -109.96 142.17 41.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.614 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.83 178.65 6.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.232 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.436 HG12 ' CA ' ' A' ' 91' ' ' GLY . 14.3 p -54.72 147.39 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.303 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.57 172.14 10.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 109.993 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -31.74 5.93 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.59 1.837 . . . . 99.989999999999995 111.014 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.1 -23.73 54.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 109.294 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.28 -37.7 23.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.245 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.44 92.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 109.309 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.439 ' CD1' ' HD2' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -99.7 138.16 20.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 109.23 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.439 ' HD2' ' CD1' ' A' ' 15' ' ' LEU . 18.1 Cg_endo -75.04 100.93 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 99.989999999999995 111.002 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.56 -17.09 64.73 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.97 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mmt-85 -133.84 126.55 30.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 0.8 . . . . 99.989999999999995 110.291 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.66 24.26 12.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.289 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.81 120.88 31.1 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 110.441 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 135.15 18.57 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.455 1.766 . . . . 99.989999999999995 110.995 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.75 135.72 63.69 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.587 1.179 . . . . 99.989999999999995 110.959 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 127.12 10.44 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.461 1.769 . . . . 99.989999999999995 111.015 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.0 t -116.13 127.52 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 109.302 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -40.66 154.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.299 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.401 ' C ' HD13 ' A' ' 27' ' ' LEU . 51.1 m -80.65 -45.16 17.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.572 1.17 . . . . 99.989999999999995 110.386 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.401 HD13 ' C ' ' A' ' 26' ' ' THR . 0.1 OUTLIER -112.78 148.77 34.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.318 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.569 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 20.6 t-80 -56.29 157.42 4.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 109.588 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.23 -25.91 27.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.296 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.583 HG11 ' CE2' ' A' ' 60' ' ' TRP . 45.8 t -95.11 -67.89 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.317 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 66' ' ' TYR . 1.4 t30 -56.31 -38.29 71.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.12 . . . . 99.989999999999995 109.266 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.35 14.83 79.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 111.026 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.488 ' CG ' ' N ' ' A' ' 34' ' ' SER . 22.5 t60 -126.96 163.48 23.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.763 . . . . 99.989999999999995 109.573 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.488 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -42.72 131.54 3.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.974 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.1 ptm -99.59 -14.19 19.09 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 111.014 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' A' ' 37' ' ' ASN . 8.9 t -96.36 -53.75 3.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 99.989999999999995 110.446 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.445 ' N ' ' CG2' ' A' ' 36' ' ' THR . 2.8 m-20 -55.02 133.4 48.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.322 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 78.8 t -122.85 102.86 37.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.265 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 40' ' ' ASP . 18.1 Cg_endo -75.02 139.68 24.5 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.557 1.82 . . . . 99.989999999999995 110.934 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' PRO . 38.5 m-20 -40.04 125.39 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.574 1.171 . . . . 99.989999999999995 109.339 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.26 2.82 29.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.626 1.204 . . . . 99.989999999999995 110.986 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.509 ' HE3' ' CD1' ' A' ' 66' ' ' TYR . 5.3 mmt -114.79 151.57 33.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.578 0.81 . . . . 99.989999999999995 110.991 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -135.8 150.17 49.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 110.344 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.445 ' CG2' ' CG ' ' A' ' 97' ' ' ARG . 3.7 mt -107.77 152.38 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.272 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.41 130.57 15.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 99.989999999999995 109.366 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.416 ' O ' ' CD1' ' A' ' 47' ' ' PHE . 7.3 mt -109.39 138.08 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.327 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.575 ' CE2' HG23 ' A' ' 138' ' ' ILE . 23.7 m-85 -149.54 165.03 33.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 111.048 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -133.71 127.84 33.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 109.306 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -139.28 158.31 44.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 99.989999999999995 110.943 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.0 -62.32 3.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 111.03 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.482 ' CB ' HG22 ' A' ' 55' ' ' VAL . 1.2 m -62.51 -179.63 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.277 -1.008 . . . . 99.989999999999995 108.277 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -145.51 -68.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 110.949 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 36.9 m0 -66.26 -34.73 78.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 107.987 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.06 -27.58 57.95 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 110.99 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.53 HG11 ' CE2' ' A' ' 59' ' ' PHE . 28.9 t -69.27 -62.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 99.989999999999995 109.31 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -38.84 39.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.263 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.486 ' CZ ' ' CD ' ' A' ' 61' ' ' GLN . 34.4 ttt85 -75.88 -24.69 55.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 99.989999999999995 110.334 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.3 -22.08 57.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 99.989999999999995 109.328 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.561 ' CD2' HG12 ' A' ' 98' ' ' ILE . 16.7 m-85 -82.65 -56.62 3.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 110.959 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.586 ' C ' ' CE3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -56.36 -55.66 30.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 99.989999999999995 108.065 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.553 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 3.7 mt-30 -49.22 -22.49 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 99.989999999999995 110.329 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.465 ' CD1' HG11 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -77.11 139.92 65.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 99.989999999999995 109.301 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 110.87 3.2 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.547 1.814 . . . . 99.989999999999995 110.99 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.45 ' HA2' ' CG1' ' A' ' 104' ' ' VAL . . . 131.91 -17.0 4.96 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 111.003 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 38.0 t -90.45 125.97 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 99.989999999999995 109.312 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.509 ' CD1' ' HE3' ' A' ' 42' ' ' MET . 4.5 t80 -81.19 -57.19 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 110.984 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.0 p -150.63 162.34 40.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.986 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 67.1 p -137.28 160.21 39.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.453 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' CE2' ' A' ' 179' ' ' PHE . . . -147.21 128.58 14.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.308 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.29 140.24 29.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 109.257 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 95' ' ' ALA . . . -170.96 -157.34 12.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.967 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -140.87 153.65 45.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 99.989999999999995 111.017 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.444 HG23 ' CB ' ' A' ' 95' ' ' ALA . 3.2 p -147.04 174.53 11.46 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.44 1.087 . . . . 99.989999999999995 110.385 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.31 -10.91 57.52 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 110.949 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.519 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -88.96 164.35 32.44 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.943 -0.863 . . . . 99.989999999999995 110.943 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -111.24 -20.85 12.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 99.989999999999995 111.012 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 22.2 m -74.79 127.39 87.15 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 110.466 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 162.14 37.62 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 99.989999999999995 110.967 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.415 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 2.0 m120 40.44 64.64 4.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.3 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.538 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -75.05 129.93 12.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 99.989999999999995 111.039 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.2 m -103.02 164.72 11.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 110.419 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -60.53 -39.03 86.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 111.026 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -45.69 61.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 110.295 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.14 -44.97 94.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 110.35 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 43.0 t -59.93 -39.84 81.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.283 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.2 m -62.18 -24.87 67.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 110.059 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.6 m -65.33 -38.2 89.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 110.031 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 82.42 5.63 89.38 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 110.986 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.91 4.21 54.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.75 . . . . 99.989999999999995 109.276 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.6 p -101.02 -17.22 16.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 110.394 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.436 ' CA ' HG12 ' A' ' 9' ' ' VAL . . . 67.54 9.5 55.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 111.005 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.538 ' CD2' ' HB3' ' A' ' 80' ' ' PRO . 28.7 m-70 -73.59 150.04 41.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 0.8 . . . . 99.989999999999995 109.624 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -123.29 160.89 25.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.294 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.88 111.93 10.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 110.281 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.444 ' CB ' HG23 ' A' ' 73' ' ' THR . . . -143.95 162.07 37.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 99.989999999999995 109.234 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 8.1 m -149.91 153.49 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 109.304 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.445 ' CG ' ' CG2' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -97.34 139.04 33.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 110.338 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.561 HG12 ' CD2' ' A' ' 59' ' ' PHE . 3.9 mt -129.32 116.18 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 109.288 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.472 ' O ' ' CB ' ' A' ' 66' ' ' TYR . 59.5 t -101.6 102.86 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 109.246 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -125.33 169.29 12.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.401 1.063 . . . . 99.989999999999995 110.969 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.408 ' CB ' ' HE1' ' A' ' 42' ' ' MET . 0.0 OUTLIER -106.37 131.2 21.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 99.989999999999995 109.246 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -0.68 10.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.535 1.808 . . . . 99.989999999999995 110.962 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.58 -22.71 18.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.999 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.45 ' CG1' ' HA2' ' A' ' 64' ' ' GLY . 57.6 t -97.85 -46.52 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.272 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.0 tt -129.38 157.46 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 109.28 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 82.6 p -107.78 159.82 16.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.974 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.512 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 32.6 p90 -60.15 -33.28 71.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 111.004 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.512 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 8.4 pt-20 -70.61 -31.05 67.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 99.989999999999995 110.334 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.415 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 30.6 mt-30 -64.6 -44.33 90.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 110.271 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.1 mt -62.67 -49.55 74.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.305 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.56 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 5.8 mt -57.09 -35.32 69.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.388 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -52.91 63.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 99.989999999999995 110.362 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 62' ' ' LEU . 1.9 t -66.61 -44.84 89.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 99.989999999999995 109.293 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.536 ' CZ ' ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -51.09 -52.24 45.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.41 1.069 . . . . 99.989999999999995 110.978 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.567 ' CH2' ' HG ' ' A' ' 153' ' ' LEU . 39.0 m95 -66.98 -19.89 65.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 99.989999999999995 107.999 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -79.89 -37.96 33.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 99.989999999999995 110.241 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -93.86 -3.89 51.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.298 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -71.76 158.26 36.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.388 1.055 . . . . 99.989999999999995 109.593 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.89 143.41 27.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.309 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 159.92 40.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.367 1.72 . . . . 99.989999999999995 110.961 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.82 141.57 30.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 99.989999999999995 109.295 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -134.2 38.67 3.13 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 110.341 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 75.48 27.9 62.57 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.969 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.6 ttt -43.97 98.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 0.807 . . . . 99.989999999999995 110.974 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -169.11 121.64 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 110.293 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.04 168.43 16.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 99.989999999999995 110.263 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -81.49 -50.94 4.82 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 110.976 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -91.83 167.37 12.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 99.989999999999995 109.337 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -62.64 124.57 21.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 109.237 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -106.38 -36.01 6.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 109.637 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 143.06 73.66 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 111.011 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 25.1 p -84.49 -2.51 57.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 0.788 . . . . 99.989999999999995 110.405 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -59.43 -36.93 76.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 110.27 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.481 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 34.7 p90 -111.08 125.09 53.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.593 1.183 . . . . 99.989999999999995 111.0 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 12.5 ptt85 -148.59 172.27 14.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.358 1.036 . . . . 99.989999999999995 110.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.7 m -97.05 117.52 31.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.057 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -146.32 166.53 26.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 99.989999999999995 109.27 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.575 HG23 ' CE2' ' A' ' 47' ' ' PHE . 5.8 mt -125.08 131.09 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 99.989999999999995 109.256 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -127.9 82.95 67.42 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 99.989999999999995 110.958 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.514 ' O ' ' CB ' ' A' ' 176' ' ' ALA . 18.4 Cg_endo -75.04 166.13 29.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 99.989999999999995 111.019 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.2 8.66 19.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 99.989999999999995 109.299 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 29.2 p -146.21 161.19 40.18 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.407 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -36.74 2.34 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.47 1.774 . . . . 99.989999999999995 110.972 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -62.98 -34.25 77.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 110.339 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -73.2 -36.95 66.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 110.328 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -44.67 85.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 99.989999999999995 109.27 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.47 ' O ' ' CB ' ' A' ' 151' ' ' ALA . . . -66.27 -39.19 89.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 99.989999999999995 109.284 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -68.37 -47.2 68.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.272 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 153' ' ' LEU . . . -55.99 -59.44 4.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 99.989999999999995 109.277 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -58.84 -43.94 90.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 110.317 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 147' ' ' ALA . . . -54.37 -44.32 72.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.173 . . . . 99.989999999999995 109.339 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.1 p -78.39 -32.37 48.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.996 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.567 ' HG ' ' CH2' ' A' ' 115' ' ' TRP . 2.8 tt -59.77 -53.92 52.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.254 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 158' ' ' ALA . 12.7 pt-20 -67.1 -41.75 85.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -55.74 -39.41 71.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 110.269 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -79.27 -55.41 5.1 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.563 1.165 . . . . 99.989999999999995 111.031 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.471 ' HG3' ' CD1' ' A' ' 169' ' ' ILE . 67.2 mm-40 -57.27 -37.45 72.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 99.989999999999995 110.265 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 154' ' ' GLU . . . -59.56 -39.7 84.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 109.325 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.48 98.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 109.276 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 11.8 ttp -65.78 -41.25 92.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 111.045 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -30.14 70.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 109.337 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.51 -19.14 65.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 109.241 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -88.15 11.31 16.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 99.989999999999995 109.343 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.53 37.09 10.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 109.31 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -95.51 109.17 21.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 99.989999999999995 109.316 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 168' ' ' HIS . 1.9 p-10 -72.99 -6.09 43.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.332 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.46 68.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 110.314 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.505 ' CD2' ' O ' ' A' ' 168' ' ' HIS . 2.2 p-80 -68.46 120.75 15.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 99.989999999999995 109.581 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 157' ' ' GLN . 0.1 OUTLIER -66.73 142.27 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.276 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 62.7 m -108.94 51.68 0.74 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 110.417 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.559 ' CG2' ' CD1' ' A' ' 153' ' ' LEU . 3.6 t -91.56 136.34 33.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.093 . . . . 99.989999999999995 110.433 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . 0.411 ' HG2' ' NZ ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -120.33 139.34 52.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 110.254 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . 0.453 ' CD1' HD11 ' A' ' 153' ' ' LEU . 10.6 mt -114.09 122.87 69.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 109.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -135.49 161.67 34.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 109.333 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -44.87 162.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.247 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 140' ' ' PRO . . . -73.6 87.07 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 109.334 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' THR . . . . . 0.403 ' HB ' ' HD2' ' A' ' 178' ' ' PRO . 27.9 p -59.1 164.2 4.89 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.378 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . 0.403 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -74.98 112.9 3.67 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.544 1.813 . . . . 99.989999999999995 111.023 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.536 ' CZ ' ' HA ' ' A' ' 181' ' ' TYR . 0.2 OUTLIER -76.62 136.82 39.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 111.009 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 181' ' ' TYR . 0.5 OUTLIER -112.08 106.42 15.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 110.982 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . 0.536 ' HA ' ' CZ ' ' A' ' 179' ' ' PHE . 36.1 m-85 -38.38 158.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 111.016 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 183' ' ' GLU . . . -122.67 175.67 6.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.286 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 182' ' ' ALA . 0.0 OUTLIER -37.25 140.01 0.21 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 110.255 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -60.37 -24.65 65.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 109.316 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.56 -42.02 95.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 109.267 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -63.14 -43.46 98.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 99.989999999999995 109.597 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -47.85 108.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 110.272 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.568 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 11.6 mp0 53.32 58.45 5.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.238 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.409 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 8.7 t80 -86.28 -27.94 24.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.934 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.478 ' HB3' ' CD ' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -76.49 -47.05 24.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.401 1.063 . . . . 99.989999999999995 109.265 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.411 ' ND1' ' CG2' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -58.9 -28.73 66.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 109.673 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -32.11 73.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.347 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.9 OUTLIER -138.98 109.3 7.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.223 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 0.53 8.83 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.593 1.838 . . . . 99.989999999999995 111.008 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -97.65 27.11 4.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 110.962 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -129.12 84.19 0.32 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.947 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 198' ' ' CYS . 1.4 m-85 -53.81 160.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.795 . . . . 99.989999999999995 111.01 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . 0.465 ' O ' ' CD1' ' A' ' 200' ' ' ILE . 13.3 t -40.69 -45.64 2.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 108.249 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -43.73 93.39 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 110.972 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . 0.465 ' CD1' ' O ' ' A' ' 198' ' ' CYS . 4.1 mt -104.73 110.31 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 99.989999999999995 109.274 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -59.32 -108.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 110.98 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 164.5 -135.27 3.67 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.015 -0.834 . . . . 99.989999999999995 111.015 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.7 pp -119.61 173.15 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 99.989999999999995 109.345 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -76.75 -104.48 0.15 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 110.974 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 28.0 m -119.06 124.56 73.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 99.989999999999995 109.269 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 11.6 t -122.43 93.49 3.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.018 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 32.2 mt -84.27 136.51 40.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.267 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 170.9 19.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.474 1.776 . . . . 99.989999999999995 111.037 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 175.91 10.63 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.527 1.804 . . . . 99.989999999999995 111.012 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -149.12 -61.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 110.289 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.294 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.979 -0.378 . . . . 99.989999999999995 109.979 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.47 114.66 13.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.31 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -79.36 51.17 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 99.989999999999995 110.976 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -152.44 87.6 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 99.989999999999995 109.369 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -109.84 169.17 8.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 109.253 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -66.33 95.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 109.349 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -148.78 150.22 32.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.512 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -114.9 -172.29 2.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 109.28 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.411 HG12 ' CA ' ' A' ' 91' ' ' GLY . 9.1 p -63.2 144.94 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 109.318 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.61 165.16 48.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.951 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -37.58 2.0 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.781 . . . . 99.989999999999995 111.013 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.97 -23.17 55.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 109.268 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.8 -37.44 20.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.17 . . . . 99.989999999999995 109.305 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.83 164.65 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 109.316 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.8 mt -100.01 152.41 37.81 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.279 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 103.13 1.68 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.448 1.762 . . . . 99.989999999999995 111.023 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.77 -174.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 111.008 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -120.79 168.92 10.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 99.989999999999995 110.252 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -104.19 36.27 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 99.989999999999995 109.294 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.4 p -124.97 99.47 34.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 110.394 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 139.26 24.07 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.597 1.84 . . . . 99.989999999999995 111.029 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.4 mtp -71.1 146.97 93.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 111.006 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 137.92 22.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.529 1.805 . . . . 99.989999999999995 110.999 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 181' ' ' TYR . 70.1 t -128.82 139.18 52.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 109.301 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.06 152.63 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 109.353 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.5 m -79.04 -44.5 22.07 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.379 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.465 ' N ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -111.2 142.12 43.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 99.989999999999995 109.315 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.567 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 16.3 t-80 -50.52 156.44 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.642 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.05 -25.76 27.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 99.989999999999995 109.288 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.602 HG12 ' CE2' ' A' ' 60' ' ' TRP . 56.0 t -95.26 -67.06 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -56.27 -38.0 70.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 99.989999999999995 109.286 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.96 17.03 75.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 111.031 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.488 ' CG ' ' N ' ' A' ' 34' ' ' SER . 25.4 t60 -132.06 163.36 28.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 0.774 . . . . 99.989999999999995 109.601 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.488 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 19.0 t -46.7 131.71 11.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.997 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.18 -29.15 13.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 110.957 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 37' ' ' ASN . 3.2 t -75.81 -34.7 60.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.068 . . . . 99.989999999999995 110.388 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.409 ' N ' HG22 ' A' ' 36' ' ' THR . 6.5 m-20 -64.29 130.64 44.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 109.276 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.8 t -116.9 104.56 50.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.302 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 40' ' ' ASP . 18.4 Cg_endo -75.01 133.43 16.57 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.546 1.814 . . . . 99.989999999999995 110.999 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -39.99 122.64 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 109.313 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.41 ' O ' ' OD1' ' A' ' 101' ' ' ASP . . . 104.56 -5.68 44.35 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 110.977 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.502 ' HE3' ' CD2' ' A' ' 66' ' ' TYR . 31.2 tpp -97.2 140.54 31.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 0.731 . . . . 99.989999999999995 110.977 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -126.64 154.85 43.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 110.297 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.43 HG12 ' CG2' ' A' ' 99' ' ' VAL . 3.2 mt -114.96 147.85 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 99.989999999999995 109.304 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.84 129.88 33.07 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.549 1.156 . . . . 99.989999999999995 109.248 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.585 HG22 ' CE1' ' A' ' 179' ' ' PHE . 21.1 mt -103.09 125.94 57.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -141.35 164.12 31.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.959 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -143.94 126.94 16.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 109.337 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -136.23 -172.53 3.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 111.02 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' PHE . . . -61.68 -100.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.096 . . . . 99.989999999999995 110.992 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.9 m -65.57 78.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.229 -1.026 . . . . 99.989999999999995 108.229 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' A' ' 53' ' ' TRP . 32.6 p90 -46.09 -42.29 13.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 99.989999999999995 110.982 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.64 ' N ' ' CD1' ' A' ' 52' ' ' PHE . 1.7 m0 -54.9 -43.32 73.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 107.985 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.47 ' HA3' ' CA ' ' A' ' 199' ' ' GLY . . . -72.88 -42.46 45.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.577 HG11 ' CE2' ' A' ' 59' ' ' PHE . 47.1 t -56.98 -48.02 82.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 0.767 . . . . 99.989999999999995 109.323 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -41.75 84.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 110.305 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.452 ' NH1' ' OE1' ' A' ' 61' ' ' GLN . 44.7 ttt-85 -68.22 -54.72 15.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 110.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -23.11 41.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 109.332 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.582 ' CD1' HG12 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -75.94 -65.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 111.066 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.602 ' CE2' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -57.84 -51.28 70.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 108.024 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.579 ' HG2' ' CZ2' ' A' ' 60' ' ' TRP . 25.9 mt-30 -48.79 -22.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 110.301 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.479 ' CD2' ' HD2' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -73.22 144.06 84.06 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.296 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.479 ' HD2' ' CD2' ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.08 116.02 4.45 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 99.989999999999995 110.981 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.6 -20.99 6.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 99.989999999999995 110.999 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 60' ' ' TRP . 65.1 t -81.73 116.01 25.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.423 0.72 . . . . 99.989999999999995 109.308 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.502 ' CD2' ' HE3' ' A' ' 42' ' ' MET . 1.9 t80 -75.12 -49.85 18.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.398 1.061 . . . . 99.989999999999995 110.996 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.7 m -158.62 164.1 36.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.994 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 28' ' ' HIS . 70.9 p -143.86 157.43 44.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 99.989999999999995 110.379 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -135.07 160.03 39.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.316 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -122.12 116.4 24.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 99.989999999999995 109.361 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -142.46 -163.33 9.63 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.437 1.086 . . . . 99.989999999999995 110.957 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -125.45 157.57 36.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 0.737 . . . . 99.989999999999995 110.961 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.2 t -160.13 160.76 33.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.595 1.184 . . . . 99.989999999999995 110.403 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.33 -11.03 73.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 110.953 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.479 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -88.33 168.02 36.32 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.003 -0.839 . . . . 99.989999999999995 111.003 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -108.98 -23.0 11.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 99.989999999999995 110.994 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.0 m -75.07 123.27 88.79 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 110.422 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 154.73 43.21 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 99.989999999999995 110.981 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.41 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 6.9 m120 48.77 64.81 8.02 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 109.337 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.56 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 18.5 Cg_endo -74.94 141.3 26.65 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.556 1.819 . . . . 99.989999999999995 111.037 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.5 m -110.99 162.82 14.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 99.989999999999995 110.376 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -55.04 -48.48 73.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 99.989999999999995 110.996 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.89 -31.24 66.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.298 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -63.35 -43.03 98.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 110.305 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 56.9 t -68.47 -41.72 83.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.278 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 t -54.8 -24.32 22.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.054 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -39.16 78.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 99.989999999999995 109.983 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.41 10.41 85.37 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 111.036 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -100.03 8.33 44.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 99.989999999999995 109.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.8 p -104.35 -17.46 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.396 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.411 ' CA ' HG12 ' A' ' 9' ' ' VAL . . . 68.9 16.82 70.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 111.034 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.56 ' CD2' ' HB3' ' A' ' 80' ' ' PRO . 40.4 m-70 -82.19 155.45 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 99.989999999999995 109.549 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -129.26 153.13 48.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 99.989999999999995 109.28 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.495 ' OE1' ' CG ' ' A' ' 52' ' ' PHE . 5.0 mm-40 -72.45 123.67 23.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 110.322 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . . . -144.07 160.61 40.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 109.276 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.4 m -134.32 147.66 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 99.989999999999995 109.293 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.49 145.41 26.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.582 HG12 ' CD1' ' A' ' 59' ' ' PHE . 3.7 mp -133.32 129.65 56.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 109.335 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 66' ' ' TYR . 26.4 t -125.54 106.68 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.185 . . . . 99.989999999999995 109.296 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.706 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 39.7 p90 -133.62 179.98 5.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 111.002 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 41' ' ' GLY . 7.6 m-20 -113.41 135.19 21.84 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.3 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.51 8.81 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.517 1.799 . . . . 99.989999999999995 110.971 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.3 t -92.12 -16.3 26.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 109.98 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 72.7 t -115.99 -47.0 4.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.425 1.078 . . . . 99.989999999999995 109.292 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.442 ' CD1' ' O ' ' A' ' 106' ' ' SER . 0.2 OUTLIER -127.49 130.94 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 109.33 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.442 ' O ' ' CD1' ' A' ' 105' ' ' ILE . 6.6 p -95.75 157.98 15.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 99.989999999999995 109.923 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.464 ' CB ' ' HG2' ' A' ' 145' ' ' GLN . 45.9 p90 -66.52 -36.21 82.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 110.992 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.456 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.4 tt0 -55.12 -39.94 69.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.251 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -72.13 -40.03 68.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 110.268 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.706 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 31.5 mt -55.85 -43.18 76.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.256 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.547 ' O ' ' CD2' ' A' ' 115' ' ' TRP . 12.4 mt -65.56 -33.61 76.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.302 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.496 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 16.3 tt0 -58.0 -50.91 71.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.456 1.098 . . . . 99.989999999999995 110.317 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.88 -33.48 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 109.267 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 118' ' ' HIS . 5.8 t80 -53.66 -48.71 69.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 99.989999999999995 110.99 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.561 ' CZ2' ' HB2' ' A' ' 152' ' ' SER . 1.2 m0 -66.47 -20.26 66.0 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.007 -1.109 . . . . 99.989999999999995 108.007 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -80.46 -38.08 30.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 110.262 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.468 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 4.9 t-20 -92.71 -9.01 42.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.322 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.598 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 42.6 t-80 -70.84 162.04 29.92 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.591 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.598 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 55.4 m-20 -103.73 136.55 19.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 99.989999999999995 109.244 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 159.81 40.72 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.476 1.777 . . . . 99.989999999999995 111.002 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -85.35 126.96 34.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 109.331 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -134.28 40.27 3.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 110.279 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 81.43 29.77 39.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.576 1.173 . . . . 99.989999999999995 111.01 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.0 104.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 99.989999999999995 110.939 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -92.73 156.99 16.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 99.989999999999995 110.302 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -108.92 167.94 9.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 99.989999999999995 110.285 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 109.9 -94.72 0.82 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.57 1.169 . . . . 99.989999999999995 111.05 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.55 164.05 4.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 0.733 . . . . 99.989999999999995 109.297 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.32 105.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.393 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.93 65.22 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 109.587 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 66.78 29.97 75.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 111.0 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 3.3 p -73.54 -24.45 60.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 99.989999999999995 110.344 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -68.66 -49.6 57.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 110.361 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.506 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 19.8 p90 -112.83 128.37 56.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 99.989999999999995 111.001 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -132.12 173.14 11.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 110.293 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.4 m -103.87 122.15 44.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 109.976 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.423 ' HB1' ' CE2' ' A' ' 139' ' ' TYR . . . -156.19 150.1 25.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.301 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 55.9 mt -112.99 130.74 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 99.989999999999995 109.338 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.423 ' CE2' ' HB1' ' A' ' 137' ' ' ALA . 86.8 m-85 -130.19 78.23 74.96 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 111.03 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 166.71 28.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 99.989999999999995 110.947 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 8.2 tp -112.4 -40.15 4.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.288 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.434 ' OG1' ' CG ' ' A' ' 145' ' ' GLN . 68.7 p -84.27 162.27 51.98 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 110.414 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -33.75 4.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.498 1.788 . . . . 99.989999999999995 111.004 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -64.91 -49.78 69.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.251 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.464 ' HG2' ' CB ' ' A' ' 107' ' ' TYR . 86.9 mt-30 -54.84 -46.47 74.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.271 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.31 -48.38 79.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 109.323 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.57 92.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.32 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -67.27 -47.14 71.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.334 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.26 -55.2 36.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.242 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -40.61 95.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 110.276 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -57.47 -37.47 72.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 109.253 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.561 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 10.2 p -74.52 -41.71 60.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.998 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.493 ' C ' ' CD2' ' A' ' 153' ' ' LEU . 3.2 tt -63.15 -50.83 68.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.158 . . . . 99.989999999999995 109.312 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -56.65 -37.34 70.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.362 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 159' ' ' ALA . 0.0 OUTLIER -75.65 -55.16 5.92 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 110.296 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.457 ' CD1' HG22 ' A' ' 169' ' ' ILE . 8.0 t80 -45.7 -46.61 14.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 99.989999999999995 110.991 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' A' ' 160' ' ' MET . 1.3 tt0 -61.48 -42.49 98.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 110.276 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.27 -31.45 67.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 109.243 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 155' ' ' ARG . . . -62.99 -48.81 77.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 109.214 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.507 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 7.6 ptm -68.09 -32.91 73.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 111.033 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.507 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -65.99 -41.08 91.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.31 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.06 -23.04 67.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.313 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.417 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -83.71 -6.18 59.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 109.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 8.0 t0 75.67 34.06 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 99.989999999999995 109.274 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -101.76 121.64 42.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 99.989999999999995 109.363 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.08 15.73 8.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.287 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -91.09 84.61 5.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.307 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.569 ' CE1' ' O ' ' A' ' 169' ' ' ILE . 0.1 OUTLIER -61.6 136.59 58.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.605 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.569 ' O ' ' CE1' ' A' ' 168' ' ' HIS . 6.3 pt -69.15 140.79 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.073 . . . . 99.989999999999995 109.348 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 8.8 t -96.86 36.2 1.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 99.989999999999995 110.402 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.445 ' CG2' HG13 ' A' ' 169' ' ' ILE . 2.1 t -92.65 128.09 38.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 110.322 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -119.1 139.41 51.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 110.294 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 4.9 mt -124.8 127.64 72.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.231 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -149.89 171.21 17.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 109.367 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -43.2 164.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.279 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -84.26 87.56 7.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.276 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' THR . . . . . 0.461 ' HB ' ' HD2' ' A' ' 178' ' ' PRO . 25.2 p -59.14 165.38 3.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 110.393 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.3 Cg_endo -74.96 118.44 5.27 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.482 1.78 . . . . 99.989999999999995 111.018 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.585 ' CE1' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -76.54 145.62 38.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 99.989999999999995 110.959 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . 0.463 ' O ' ' C ' ' A' ' 181' ' ' TYR . 17.2 m-85 -118.68 91.29 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 111.071 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . 0.47 ' HB3' ' CG2' ' A' ' 24' ' ' VAL . 14.0 m-85 -32.85 139.67 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 110.99 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -100.01 175.53 5.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 99.989999999999995 109.313 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -47.31 137.92 7.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 110.277 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.19 -23.43 62.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 99.989999999999995 109.261 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.3 -41.8 98.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.269 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -78.68 -28.15 45.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.64 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . 0.44 ' NE2' ' NE2' ' A' ' 188' ' ' GLN . 12.7 tp60 -55.54 111.93 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.567 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 3.5 mp0 48.03 55.81 8.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 110.348 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.454 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 1.9 t80 -85.65 -45.91 11.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 99.989999999999995 110.96 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 12.8 tp -63.04 -41.27 99.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.265 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.485 ' CD2' ' N ' ' A' ' 191' ' ' HIS . 0.7 OUTLIER -57.71 -28.86 64.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.691 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.41 -44.3 62.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 109.312 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -140.08 115.56 7.87 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.181 . . . . 99.989999999999995 109.254 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.63 8.67 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.482 1.78 . . . . 99.989999999999995 111.001 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -90.85 28.74 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.602 1.188 . . . . 99.989999999999995 111.012 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -99.84 -179.55 30.48 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 111.017 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . 0.416 ' O ' ' C ' ' A' ' 198' ' ' CYS . 1.3 m-85 -49.09 160.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 99.989999999999995 110.982 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . 0.416 ' C ' ' O ' ' A' ' 197' ' ' TYR . 0.7 OUTLIER -40.41 136.82 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 108.243 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . 0.47 ' CA ' ' HA3' ' A' ' 54' ' ' GLY . . . -152.4 47.27 0.56 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 111.056 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 8.0 tp -170.02 -44.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.471 0.747 . . . . 99.989999999999995 109.269 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 175.35 -133.21 2.36 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 111.017 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 44.01 76.02 0.14 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.99 -0.844 . . . . 99.989999999999995 110.99 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 2.1 tt -64.12 -23.05 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 99.989999999999995 109.25 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 43.7 -101.68 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.437 1.086 . . . . 99.989999999999995 111.069 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.46 131.43 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 99.989999999999995 109.362 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.47 139.79 30.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 110.007 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' A' ' 207' ' ' LEU . 1.5 mm? -69.98 146.43 95.13 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 109.309 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 151.52 39.71 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.465 1.771 . . . . 99.989999999999995 111.0 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.77 35.75 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.427 1.751 . . . . 99.989999999999995 110.994 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -54.64 -58.58 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 99.989999999999995 110.266 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.33 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.1 p . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.996 -0.372 . . . . 99.989999999999995 109.996 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -73.02 157.29 37.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.29 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -78.11 89.43 4.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 110.968 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -159.18 124.45 4.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.349 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.43 88.7 2.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 99.989999999999995 109.316 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.39 143.61 33.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 99.989999999999995 109.271 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.22 74.01 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 109.613 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mp -123.2 160.72 25.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 109.344 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.2 p -59.63 149.66 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.338 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.26 163.38 48.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 109.969 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -34.22 3.94 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.456 1.766 . . . . 99.989999999999995 110.975 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.21 -24.98 65.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.63 1.206 . . . . 99.989999999999995 109.279 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.91 -39.99 10.39 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 109.359 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.56 98.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.317 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pp -75.94 153.74 84.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 99.989999999999995 109.269 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 139.2 23.87 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 99.989999999999995 110.966 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -105.09 -104.13 2.92 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 110.927 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -90.37 145.3 25.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 99.989999999999995 110.306 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -109.39 18.08 20.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.32 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.3 p -126.89 146.25 56.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 110.333 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 152.25 40.43 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.578 1.831 . . . . 99.989999999999995 110.968 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -82.33 145.81 52.87 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 111.024 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 125.88 9.52 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 99.989999999999995 110.952 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 t -123.75 137.24 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 109.276 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.13 159.9 27.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 109.334 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 m -82.89 -45.2 14.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 110.377 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.47 145.72 35.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 99.989999999999995 109.377 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.449 ' CD2' ' H ' ' A' ' 68' ' ' THR . 36.8 t-80 -54.62 164.76 0.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.643 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.434 ' HB2' ' CE1' ' A' ' 191' ' ' HIS . . . -84.92 -33.13 22.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 109.276 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.442 ' HB ' ' CE1' ' A' ' 28' ' ' HIS . 75.3 t -95.12 -63.15 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.162 . . . . 99.989999999999995 109.263 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -55.84 -39.66 71.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 99.989999999999995 109.347 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.02 22.85 78.79 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.951 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.528 ' CG ' ' N ' ' A' ' 34' ' ' SER . 23.5 t60 -129.48 166.99 18.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 0.746 . . . . 99.989999999999995 109.619 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.528 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -41.88 141.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.991 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mtp -98.08 -64.95 0.99 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.158 . . . . 99.989999999999995 111.027 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.45 ' CG2' ' N ' ' A' ' 37' ' ' ASN . 15.2 t -55.25 -51.57 66.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 99.989999999999995 110.364 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.45 ' N ' ' CG2' ' A' ' 36' ' ' THR . 0.4 OUTLIER -55.02 131.84 45.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.352 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.4 t -125.86 133.01 24.5 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.306 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.405 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.1 Cg_endo -75.01 143.92 29.61 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 99.989999999999995 110.975 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.35 121.96 12.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.309 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.18 4.65 29.06 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.562 1.164 . . . . 99.989999999999995 111.022 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.442 ' HE2' ' CD1' ' A' ' 66' ' ' TYR . 0.5 OUTLIER -109.38 165.66 11.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 99.989999999999995 111.034 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.7 158.51 43.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.319 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mp -109.86 151.37 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 109.337 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -140.52 131.26 25.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.228 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.709 ' CG2' ' CE2' ' A' ' 179' ' ' PHE . 97.3 mt -113.58 138.77 42.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.328 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.47 ' CD1' ' O ' ' A' ' 46' ' ' ILE . 49.0 m-85 -150.97 165.07 34.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 99.989999999999995 110.972 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -142.73 127.46 18.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.29 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -135.45 -174.53 3.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 111.035 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.404 ' O ' ' OE1' ' A' ' 94' ' ' GLU . . . -64.9 -90.12 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.14 . . . . 99.989999999999995 110.992 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 56.4 m -70.8 76.59 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.287 -1.005 . . . . 99.989999999999995 108.287 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.49 ' CG ' ' N ' ' A' ' 53' ' ' TRP . 49.7 p90 -51.53 -44.39 62.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 111.003 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.804 ' CH2' ' CD2' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -55.66 -44.82 77.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 107.975 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.486 ' HA3' ' CA ' ' A' ' 199' ' ' GLY . . . -74.67 -27.82 64.38 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.993 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.42 HG11 ' CE2' ' A' ' 59' ' ' PHE . 62.1 t -75.81 -54.48 13.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.564 0.802 . . . . 99.989999999999995 109.274 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.537 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 15.7 pt-20 -48.38 -37.76 17.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 110.246 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.537 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -77.37 -26.56 52.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 110.342 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.416 ' HB3' ' O ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER -76.7 -32.3 57.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 109.388 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.522 ' CG ' HG12 ' A' ' 98' ' ' ILE . 2.9 m-85 -66.11 -64.48 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 111.078 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.526 ' CD2' ' HA ' ' A' ' 57' ' ' ARG . 0.7 OUTLIER -56.88 -21.17 27.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.143 . . . . 99.989999999999995 108.052 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.51 -21.09 62.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 110.331 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.62 137.13 83.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.274 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 109.88 3.01 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.428 1.751 . . . . 99.989999999999995 111.047 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.27 -15.02 5.34 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.454 1.097 . . . . 99.989999999999995 110.989 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.41 HG11 ' CG2' ' A' ' 68' ' ' THR . 47.7 t -78.86 124.54 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 0.8 . . . . 99.989999999999995 109.303 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.442 ' CD1' ' HE2' ' A' ' 42' ' ' MET . 1.3 t80 -74.99 -54.66 6.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 99.989999999999995 110.935 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.2 m -161.97 152.72 17.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 110.009 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.449 ' H ' ' CD2' ' A' ' 28' ' ' HIS . 24.6 p -136.6 156.07 49.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.351 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -147.05 156.18 42.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 109.329 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 182' ' ' ALA . . . -99.26 138.46 36.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.267 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -147.14 -177.88 22.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.416 1.072 . . . . 99.989999999999995 111.004 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -123.75 153.91 40.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 0.717 . . . . 99.989999999999995 111.01 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.604 ' CG2' ' CZ ' ' A' ' 179' ' ' PHE . 3.8 t -160.02 160.17 32.94 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 110.385 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.85 -22.99 38.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.587 1.179 . . . . 99.989999999999995 111.005 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.565 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -90.55 177.9 42.46 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.897 -0.881 . . . . 99.989999999999995 110.897 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -117.05 -18.47 10.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 99.989999999999995 111.028 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.413 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 20.1 m -73.72 123.08 89.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 99.989999999999995 110.34 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -74.97 155.44 43.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 99.989999999999995 110.993 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.555 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 17.9 m-80 39.33 56.91 6.22 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 109.29 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.627 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.5 Cg_endo -74.97 140.31 25.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 99.989999999999995 111.022 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 85' ' ' VAL . 5.1 m -93.36 151.38 19.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 99.989999999999995 110.357 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -50.88 -50.9 56.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 110.993 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -44.67 82.72 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 110.299 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' ' 87' ' ' SER . 35.0 mt-10 -73.06 -25.41 60.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 110.334 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 81' ' ' THR . 42.4 t -72.9 -48.4 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.274 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.1 t -60.67 -25.78 66.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.981 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 84' ' ' GLU . 40.7 t -54.51 -40.46 68.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.996 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.431 ' CA ' ' NE2' ' A' ' 133' ' ' GLN . . . 80.41 16.94 74.86 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.401 1.063 . . . . 99.989999999999995 110.97 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -98.59 -3.01 37.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 99.989999999999995 109.275 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.49 -29.8 10.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 110.384 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.82 -14.43 65.31 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 110.975 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.627 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 40.6 m-70 -59.17 148.22 32.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 0.75 . . . . 99.989999999999995 109.579 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -124.88 158.13 34.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.267 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.404 ' OE1' ' O ' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -70.42 123.09 20.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 110.294 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -146.07 158.6 43.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.305 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 17.0 m -138.49 151.58 24.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.271 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.417 ' CZ ' ' OH ' ' A' ' 181' ' ' TYR . 6.6 ptm180 -109.74 145.43 36.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.324 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.522 HG12 ' CG ' ' A' ' 59' ' ' PHE . 4.4 mp -132.17 134.06 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 66' ' ' TYR . 58.2 t -121.33 106.74 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.341 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.703 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 27.4 p90 -129.03 177.28 7.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 111.01 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.84 134.9 20.51 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.318 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 1.56 7.64 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 99.989999999999995 110.968 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.45 -17.72 17.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.979 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.0 t -110.38 -41.96 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.26 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.57 HG22 ' CD1' ' A' ' 100' ' ' TYR . 1.0 OUTLIER -133.33 139.92 48.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 109.29 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.4 p -96.84 159.25 15.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 110.031 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 20.3 p90 -66.34 -33.29 75.41 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 110.996 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.563 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -60.36 -36.11 77.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 110.247 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -64.84 -44.29 90.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 110.283 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.703 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 23.0 mt -61.39 -45.26 95.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.263 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.547 ' O ' ' CD2' ' A' ' 115' ' ' TRP . 3.3 mt -71.88 -33.09 68.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.33 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.558 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 44.2 tt0 -59.01 -49.84 76.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.279 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.76 -34.58 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 109.312 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 118' ' ' HIS . 13.3 t80 -53.97 -47.46 71.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 111.005 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.643 ' CZ2' ' CB ' ' A' ' 152' ' ' SER . 1.0 OUTLIER -66.61 -18.46 65.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 108.013 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -87.95 -28.73 21.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.325 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.502 ' OD1' ' CD1' ' A' ' 200' ' ' ILE . 61.5 m-80 -105.27 5.38 31.98 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.312 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 114' ' ' PHE . 24.4 t60 -84.74 152.98 23.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.54 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -105.11 146.73 33.26 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.305 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -172.09 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.456 1.766 . . . . 99.989999999999995 110.97 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -81.82 123.77 29.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 109.301 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.81 49.77 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 110.277 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -42.29 148.07 0.53 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 111.035 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -152.45 168.98 23.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.412 0.713 . . . . 99.989999999999995 111.032 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.27 133.69 48.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 99.989999999999995 110.277 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.51 ' HB2' ' CE1' ' A' ' 130' ' ' HIS . 0.1 OUTLIER -126.55 167.96 14.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 110.221 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -110.47 -71.82 0.67 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.541 1.15 . . . . 99.989999999999995 111.015 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -86.25 161.03 18.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.597 0.822 . . . . 99.989999999999995 109.298 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.13 110.41 7.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.321 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.51 ' CE1' ' HB2' ' A' ' 126' ' ' GLN . 0.6 OUTLIER -130.2 169.6 15.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.564 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.407 ' O ' ' OE1' ' A' ' 133' ' ' GLN . . . -151.92 122.01 1.27 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.959 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.64 ' O ' ' CE1' ' A' ' 134' ' ' TYR . 4.1 p -85.69 -14.29 45.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 0.804 . . . . 99.989999999999995 110.426 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.431 ' NE2' ' CA ' ' A' ' 88' ' ' GLY . 28.1 mp0 61.46 35.54 17.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.225 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.64 ' CE1' ' O ' ' A' ' 132' ' ' THR . 9.0 m-85 -126.32 56.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 110.981 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.95 108.82 20.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 110.306 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.6 m -59.99 130.81 48.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.999 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -148.45 161.33 41.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.298 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 36.8 mt -124.65 127.69 72.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.326 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -130.57 81.82 66.69 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 110.923 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 163.64 34.93 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.558 1.82 . . . . 99.989999999999995 110.99 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.405 ' CD2' ' HB2' ' A' ' 176' ' ' ALA . 0.2 OUTLIER -97.28 -54.27 3.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 99.989999999999995 109.321 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 10.4 p -79.56 163.0 61.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 110.421 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -36.34 2.67 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.508 1.794 . . . . 99.989999999999995 110.963 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.32 -37.7 75.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 110.307 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -72.4 -38.5 68.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 110.292 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.88 -52.57 59.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.308 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.79 -43.61 90.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.347 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -66.31 -43.25 86.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 109.283 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.04 -58.86 6.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.238 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -61.68 -32.47 72.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 110.333 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -63.07 -47.85 81.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 99.989999999999995 109.301 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.643 ' CB ' ' CZ2' ' A' ' 115' ' ' TRP . 51.9 p -75.01 -34.09 61.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 99.989999999999995 110.002 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.434 ' CD1' HG21 ' A' ' 171' ' ' THR . 5.1 tt -64.49 -50.3 68.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 109.301 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.03 -46.93 86.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 110.29 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -55.11 39.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.343 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -53.35 -45.15 69.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 111.021 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -61.24 -40.75 95.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 110.341 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.48 -46.22 67.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 109.33 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -56.6 -41.74 77.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 109.26 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.99 -43.0 100.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 111.025 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -33.41 75.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 99.989999999999995 109.38 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.18 -21.91 66.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 109.334 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -78.15 -5.34 51.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.279 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 3.3 t0 78.71 21.77 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.354 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -91.2 116.16 28.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.26 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.05 54.96 3.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.309 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -146.9 87.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.317 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -72.44 150.36 43.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.617 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.27 142.29 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.297 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 86.6 m -87.53 50.46 2.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 110.391 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.434 HG21 ' CD1' ' A' ' 153' ' ' LEU . 8.0 t -95.3 124.33 39.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.448 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.18 153.65 38.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 110.331 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 20.0 mt -119.56 129.3 75.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.278 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -141.08 167.12 22.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 99.989999999999995 109.313 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -52.18 163.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 109.307 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . 0.405 ' HB2' ' CD2' ' A' ' 141' ' ' LEU . . . -89.61 67.75 7.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.284 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.98 163.29 8.01 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 99.989999999999995 110.353 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 108.79 2.8 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.504 1.791 . . . . 99.989999999999995 111.004 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.709 ' CE2' ' CG2' ' A' ' 46' ' ' ILE . 5.9 m-30 -86.48 146.94 26.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 111.03 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . 0.412 ' O ' ' O ' ' A' ' 181' ' ' TYR . 41.5 m-85 -88.73 114.73 25.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 111.006 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . 0.417 ' OH ' ' CZ ' ' A' ' 97' ' ' ARG . 30.8 m-85 -42.71 167.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 111.061 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.651 ' CB ' ' CE1' ' A' ' 186' ' ' HIS . . . -112.95 164.62 13.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 99.989999999999995 109.353 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.57 128.43 35.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 110.229 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -51.9 -21.02 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.33 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.86 -39.71 65.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 109.325 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . 0.651 ' CE1' ' CB ' ' A' ' 182' ' ' ALA . 11.3 p80 -113.27 -22.87 10.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 109.63 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . 0.476 ' C ' ' CG ' ' A' ' 188' ' ' GLN . 0.0 OUTLIER -64.48 130.52 44.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 99.989999999999995 110.226 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.476 ' CG ' ' C ' ' A' ' 187' ' ' GLN . 1.1 pt20 43.71 40.16 2.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.314 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.804 ' CD2' ' CH2' ' A' ' 53' ' ' TRP . 57.2 t80 -83.35 -24.11 32.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 111.019 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.495 ' CD1' ' HA3' ' A' ' 196' ' ' GLY . 0.4 OUTLIER -58.01 -37.47 74.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.268 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -56.38 -29.94 62.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 109.587 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.13 -41.15 64.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 99.989999999999995 109.319 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.601 ' OD1' ' CE2' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -137.97 121.52 11.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.322 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 -2.96 13.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 99.989999999999995 111.05 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -89.98 24.28 2.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 99.989999999999995 110.997 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . 0.495 ' HA3' ' CD1' ' A' ' 190' ' ' LEU . . . -60.65 -178.24 2.04 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 111.037 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . 0.469 ' O ' ' C ' ' A' ' 198' ' ' CYS . 3.0 m-85 -48.57 161.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 0.722 . . . . 99.989999999999995 111.027 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . 0.469 ' C ' ' O ' ' A' ' 197' ' ' TYR . 0.8 OUTLIER -36.48 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 108.297 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . 0.486 ' CA ' ' HA3' ' A' ' 54' ' ' GLY . . . 105.2 -20.17 38.52 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 110.968 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . 0.502 ' CD1' ' OD1' ' A' ' 117' ' ' ASN . 51.1 mm -119.78 -46.78 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 0.781 . . . . 99.989999999999995 109.269 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -44.54 -41.4 6.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.976 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 100.88 -111.23 4.1 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.067 -0.813 . . . . 99.989999999999995 111.067 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 204' ' ' GLY . 1.2 tp -66.31 142.69 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 99.989999999999995 109.287 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . 0.422 ' N ' HG13 ' A' ' 203' ' ' ILE . . . -107.79 -114.58 3.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.999 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 19.5 m -109.55 129.33 64.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.585 0.814 . . . . 99.989999999999995 109.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 68.6 m -66.97 169.73 7.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.977 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 10.7 mt -103.35 148.83 36.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.28 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 156.22 43.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.459 1.768 . . . . 99.989999999999995 110.969 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -178.83 4.43 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.569 1.826 . . . . 99.989999999999995 111.05 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 210' ' ' GLU . 0.0 OUTLIER -152.1 49.19 0.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.36 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 109.291 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.1 p . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.054 -0.35 . . . . 99.989999999999995 110.054 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 mt -79.36 71.92 5.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.365 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -160.12 107.74 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 110.922 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.0 86.54 0.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 99.989999999999995 109.354 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.53 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 0.1 OUTLIER -154.02 61.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.349 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.45 63.73 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 109.312 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.53 ' CE1' ' HA ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -142.86 72.68 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.598 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.408 HD23 ' N ' ' A' ' 8' ' ' LEU . 0.9 OUTLIER -153.17 155.29 36.42 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.453 1.095 . . . . 99.989999999999995 109.251 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.7 p -77.58 149.69 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.214 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.08 164.57 54.12 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.983 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.405 ' HB3' ' CD2' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -75.08 -23.67 13.45 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.545 1.813 . . . . 99.989999999999995 111.031 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.99 -25.76 60.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.275 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -86.82 -38.79 16.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.305 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.91 110.4 5.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 109.327 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.97 158.75 31.49 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 99.989999999999995 109.285 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 103.66 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.515 1.797 . . . . 99.989999999999995 111.018 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.96 -90.94 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 110.967 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -94.53 147.04 23.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 99.989999999999995 110.273 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -87.61 -44.71 11.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.415 1.072 . . . . 99.989999999999995 109.316 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 55.5 m -87.19 137.28 32.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 99.989999999999995 110.348 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 20' ' ' THR . 18.4 Cg_endo -74.97 154.87 42.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.512 1.796 . . . . 99.989999999999995 111.027 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.18 152.86 84.26 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 111.026 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 148.32 34.97 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 99.989999999999995 110.974 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.464 HG21 ' CD2' ' A' ' 181' ' ' TYR . 21.8 t -134.22 154.18 37.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.257 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.62 163.74 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 109.364 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.5 m -88.94 -31.18 18.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 110.379 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 pp -149.92 145.62 26.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 109.269 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.444 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 12.3 t-80 -40.76 149.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.583 1.177 . . . . 99.989999999999995 109.628 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.78 -33.55 22.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.31 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.444 ' HB ' ' CE1' ' A' ' 28' ' ' HIS . 48.9 t -83.68 -69.8 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.331 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -51.45 -39.81 58.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 109.344 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.11 33.74 39.68 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 99.989999999999995 111.003 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -148.61 165.44 31.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.756 . . . . 99.989999999999995 109.642 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.1 m -55.76 132.58 49.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.087 . . . . 99.989999999999995 109.943 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.24 -4.52 35.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 111.035 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 57.5 p -92.2 -42.97 9.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 110.402 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -56.26 131.19 47.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.371 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.9 t -118.81 99.49 51.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.278 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 137.23 21.54 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 99.989999999999995 111.034 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.74 123.98 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.16 0.01 44.33 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 110.968 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.479 ' CG ' HG11 ' A' ' 99' ' ' VAL . 40.4 tpp -107.33 143.02 36.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 99.989999999999995 110.988 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -132.26 163.2 29.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 110.263 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mt -114.17 151.47 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 109.285 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -142.74 131.59 22.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.352 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.3 mt -109.58 127.85 66.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 109.278 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -141.74 164.72 29.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 110.969 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -155.39 134.11 11.97 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.312 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.454 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -150.38 -174.74 4.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 111.027 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -38.11 -84.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 110.979 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.78 178.69 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.277 -1.009 . . . . 99.989999999999995 108.277 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -150.47 -48.81 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 99.989999999999995 111.048 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 1.8 m0 -71.16 -46.6 61.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 99.989999999999995 108.018 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.15 -36.62 92.1 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.997 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.518 HG12 ' CD2' ' A' ' 59' ' ' PHE . 99.3 t -60.67 -54.6 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 99.989999999999995 109.264 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.495 ' O ' ' CE3' ' A' ' 60' ' ' TRP . 29.5 tt0 -49.64 -36.53 24.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.082 . . . . 99.989999999999995 110.282 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.565 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 5.4 ttp180 -78.54 -46.37 19.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.384 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -26.77 68.32 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 109.253 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.566 ' CZ ' HD12 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -70.71 -66.41 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 110.983 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.565 ' CE3' ' HA ' ' A' ' 57' ' ' ARG . 0.7 OUTLIER -56.59 -20.07 19.16 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 107.997 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.37 -25.3 62.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 99.989999999999995 110.342 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 6.1 mt -72.21 141.72 83.92 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 99.989999999999995 109.27 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.1 Cg_endo -75.01 112.14 3.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.448 1.762 . . . . 99.989999999999995 110.977 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.75 -13.97 5.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 111.024 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.2 t -83.85 118.02 30.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.435 0.727 . . . . 99.989999999999995 109.249 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 99' ' ' VAL . 4.1 t80 -75.04 -42.21 57.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 99.989999999999995 110.959 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.7 p -175.83 157.21 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 99.989999999999995 110.013 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.437 ' H ' ' CD2' ' A' ' 28' ' ' HIS . 20.3 p -138.75 169.72 17.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 99.989999999999995 110.42 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -152.97 150.4 29.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 99.989999999999995 109.352 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 182' ' ' ALA . . . -95.84 138.36 33.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 109.269 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.465 ' HA2' ' N ' ' A' ' 182' ' ' ALA . . . -163.87 -173.29 32.37 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 110.985 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.608 ' CE2' ' HA ' ' A' ' 182' ' ' ALA . 3.0 m-85 -123.43 163.47 20.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 99.989999999999995 110.996 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.7 t -167.76 163.23 14.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 110.391 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.33 -20.26 48.98 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 111.013 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.516 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -84.16 178.78 51.91 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.95 -0.86 . . . . 99.989999999999995 110.95 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.405 ' CD2' ' HB3' ' A' ' 11' ' ' PRO . 23.8 m-85 -115.08 -17.89 11.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 0.735 . . . . 99.989999999999995 110.948 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 87.7 m -74.33 118.69 71.84 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 99.989999999999995 110.461 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -75.03 144.25 29.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 99.989999999999995 110.999 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.446 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 26.8 m-20 39.65 62.48 5.34 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.297 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.567 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.95 175.29 11.42 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 99.989999999999995 110.994 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 90.0 m -116.83 154.12 31.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 110.34 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -55.55 -43.46 75.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.99 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -43.5 64.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 110.271 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -60.62 -38.13 83.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 110.269 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 52.4 t -68.08 -37.93 78.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 109.254 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.1 t -53.37 -36.88 61.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.001 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.52 -39.11 72.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.017 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.05 13.9 68.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.565 1.166 . . . . 99.989999999999995 111.012 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -85.65 -11.63 53.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 0.739 . . . . 99.989999999999995 109.323 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.5 p -92.6 -20.54 20.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 110.4 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.27 9.76 61.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 99.989999999999995 110.952 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.567 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 18.9 m-70 -68.95 147.0 52.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 99.989999999999995 109.642 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -115.95 150.58 36.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 109.312 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -70.68 109.75 5.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 110.272 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 71' ' ' GLY . . . -131.08 160.94 33.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 109.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.4 m -141.7 139.35 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 99.989999999999995 109.335 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -89.91 129.14 36.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 99.989999999999995 110.273 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.566 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 3.9 mp -119.25 122.88 70.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 109.39 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.479 HG11 ' CG ' ' A' ' 42' ' ' MET . 95.5 t -110.7 102.45 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 99.989999999999995 109.256 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.662 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 17.7 p90 -130.26 172.23 12.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 111.025 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.56 135.59 19.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.167 . . . . 99.989999999999995 109.292 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.64 8.65 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.543 1.812 . . . . 99.989999999999995 110.998 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.02 -24.9 17.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 99.989999999999995 110.017 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.7 t -100.67 -50.36 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.27 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.451 ' CG2' ' CD1' ' A' ' 100' ' ' TYR . 19.1 tt -117.99 156.27 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.34 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 p -115.51 147.5 40.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.067 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 9.8 p90 -56.72 -25.62 54.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 110.965 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.479 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.5 OUTLIER -66.31 -43.16 86.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.357 1.036 . . . . 99.989999999999995 110.258 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -64.44 -45.35 87.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 110.315 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.662 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 55.4 mt -59.06 -51.62 69.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 99.989999999999995 109.322 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.449 ' CD2' HD11 ' A' ' 138' ' ' ILE . 3.3 mt -59.03 -41.86 88.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.265 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -61.59 -52.6 63.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 99.989999999999995 110.301 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 15.7 t -62.75 -41.48 92.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.272 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 114' ' ' PHE . 2.0 t80 -62.85 -41.66 99.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 111.033 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.557 ' HB3' ' CE2' ' A' ' 156' ' ' PHE . 38.7 m95 -71.83 -20.32 61.85 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.99 -1.115 . . . . 99.989999999999995 107.99 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.83 -30.95 22.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.308 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.454 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 9.7 t-20 -95.75 -1.32 50.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.262 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.436 ' CG ' ' N ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -70.44 171.68 9.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.576 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.436 ' N ' ' CG ' ' A' ' 118' ' ' HIS . 0.3 OUTLIER -108.9 140.9 22.32 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.425 1.078 . . . . 99.989999999999995 109.289 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 158.8 41.88 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.523 1.802 . . . . 99.989999999999995 110.993 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -87.65 125.0 34.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.389 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -132.35 57.54 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 99.989999999999995 110.291 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 75.83 23.89 71.1 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.927 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 11.1 tpt -48.02 100.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 99.989999999999995 110.98 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -119.22 170.55 8.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.292 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -82.46 123.67 29.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.327 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.423 ' HA3' ' CE1' ' A' ' 130' ' ' HIS . . . -125.02 -114.27 2.01 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 110.991 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -128.01 -52.85 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 99.989999999999995 109.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.55 51.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 109.274 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.423 ' CE1' ' HA3' ' A' ' 127' ' ' GLY . 32.2 m170 -78.73 -34.92 45.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 99.989999999999995 109.631 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 164.7 41.7 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 111.009 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 34.5 p -77.67 -31.31 52.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 0.76 . . . . 99.989999999999995 110.412 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -48.42 -51.03 28.64 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 110.365 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.47 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 27.8 p90 -108.83 126.91 53.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 111.01 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -132.81 172.99 11.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 99.989999999999995 110.295 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 67.5 p -102.86 95.81 6.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.045 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -132.17 146.15 51.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 99.989999999999995 109.287 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.449 HD11 ' CD2' ' A' ' 111' ' ' LEU . 69.5 mt -110.78 133.41 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 109.34 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -128.1 76.78 77.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.942 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 176' ' ' ALA . 18.0 Cg_endo -75.01 164.6 33.01 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 99.989999999999995 110.973 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.9 -52.51 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.294 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.3 p -77.41 162.17 69.84 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.417 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -40.62 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 99.989999999999995 110.984 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.88 -32.64 72.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 99.989999999999995 110.272 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 149' ' ' ALA . 39.6 tt0 -72.11 -39.38 68.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 110.315 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -51.19 60.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.327 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.08 -38.34 73.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 109.339 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.421 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -76.25 -35.52 58.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 109.278 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 145' ' ' GLN . . . -62.7 -59.66 4.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 109.245 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.407 ' HA ' ' CD1' ' A' ' 173' ' ' ILE . 4.5 ppt_? -59.08 -28.62 66.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 110.331 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -67.7 -46.52 72.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.25 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 59.8 p -61.14 -43.74 98.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 99.989999999999995 109.952 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.413 HD11 ' CD1' ' A' ' 173' ' ' ILE . 5.7 tt -56.35 -51.21 69.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 109.301 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -53.41 -47.89 69.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 110.28 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.04 -49.97 75.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 110.318 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.557 ' CE2' ' HB3' ' A' ' 115' ' ' TRP . 0.3 OUTLIER -63.44 -40.44 97.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 111.005 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -62.08 -47.69 83.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 110.295 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.43 -46.85 65.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 109.261 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -56.31 -44.6 80.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.408 1.067 . . . . 99.989999999999995 109.309 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 16.1 ttp -63.3 -43.99 96.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.98 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -31.41 72.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.295 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -68.19 -17.62 64.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.303 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.455 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -83.31 -4.63 58.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.276 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.9 t0 78.51 28.5 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 109.279 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -104.11 115.1 29.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 99.989999999999995 109.278 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -84.52 6.49 23.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.57 1.169 . . . . 99.989999999999995 109.342 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -84.9 80.8 9.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 99.989999999999995 110.283 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -62.79 134.62 56.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.552 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.63 133.98 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 109.269 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 36.2 p -86.18 45.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 99.989999999999995 110.454 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 34.9 m -91.62 126.12 36.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 110.439 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.0 138.22 54.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.42 1.075 . . . . 99.989999999999995 110.301 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . 0.413 ' CD1' HD11 ' A' ' 153' ' ' LEU . 42.5 mt -108.27 123.75 64.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 109.211 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -137.98 156.28 48.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 109.29 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -42.48 157.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 109.298 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 140' ' ' PRO . . . -69.56 85.58 0.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 109.247 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 2.0 p -58.65 163.53 5.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.408 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 97.9 1.12 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.568 1.825 . . . . 99.989999999999995 110.985 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.4 OUTLIER -77.19 133.36 38.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 99.989999999999995 110.997 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . 0.407 ' O ' ' O ' ' A' ' 181' ' ' TYR . 5.5 m-85 -120.39 130.74 54.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 110.973 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . 0.464 ' CD2' HG21 ' A' ' 24' ' ' VAL . 25.0 m-85 -37.64 157.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 110.965 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.608 ' HA ' ' CE2' ' A' ' 72' ' ' TYR . . . -96.67 -62.99 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 109.306 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.35 159.15 28.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 110.265 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.98 -23.26 65.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.332 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.19 -34.35 59.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -70.3 -39.64 74.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.639 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.53 99.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.173 . . . . 99.989999999999995 110.287 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . . . . . . . . . 9.0 mp0 56.03 60.97 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 99.989999999999995 110.337 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -82.36 -29.51 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 110.928 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.18 -29.16 61.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.311 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.445 ' CD2' ' N ' ' A' ' 192' ' ' LYS . 0.0 OUTLIER -64.91 -41.62 95.41 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 109.571 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . 0.445 ' N ' ' CD2' ' A' ' 191' ' ' HIS . 1.9 ttmt -63.41 -40.93 98.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 109.258 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -136.0 103.71 9.82 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 109.321 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 -15.21 21.17 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.418 1.746 . . . . 99.989999999999995 111.043 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -89.84 -12.44 39.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 110.991 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -81.6 54.36 4.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 111.008 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . 0.597 ' CD1' ' O ' ' A' ' 197' ' ' TYR . 24.0 p90 -83.4 133.3 34.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 99.989999999999995 111.003 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 2.9 p -54.26 -50.84 66.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 99.989999999999995 108.34 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 152.22 67.53 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 110.92 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 1.2 tt -82.18 146.59 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.453 0.737 . . . . 99.989999999999995 109.303 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -92.58 -68.02 1.11 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 110.98 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 100.31 -75.15 0.43 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.958 -0.857 . . . . 99.989999999999995 110.958 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 18.7 tt -101.54 -41.48 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.457 0.739 . . . . 99.989999999999995 109.341 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -53.67 -29.0 39.72 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.491 1.12 . . . . 99.989999999999995 111.051 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.31 -60.3 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 0.764 . . . . 99.989999999999995 109.241 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 61.9 p -119.33 69.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 110.004 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . 0.521 ' C ' ' CD2' ' A' ' 207' ' ' LEU . 0.0 OUTLIER -69.76 158.46 87.04 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 109.275 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 171.45 18.29 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 99.989999999999995 110.982 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 92.79 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.43 1.753 . . . . 99.989999999999995 110.986 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -48.91 120.75 4.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.304 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 109.295 179.965 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 110.076 -0.342 . . . . 99.989999999999995 110.076 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.14 159.94 25.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 99.989999999999995 109.258 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -152.84 130.42 11.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 99.989999999999995 110.994 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -157.49 133.52 9.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.393 1.058 . . . . 99.989999999999995 109.281 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.43 ' HE2' ' CE1' ' A' ' 7' ' ' HIS . 17.3 ptmt -146.04 164.29 32.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 109.275 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.26 168.84 8.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 109.281 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.43 ' CE1' ' HE2' ' A' ' 5' ' ' LYS . 49.9 m-70 -135.77 40.94 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 109.514 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.41 132.81 55.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.326 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 p -51.81 145.64 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 109.246 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.99 166.54 43.92 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.043 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -38.66 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.441 1.759 . . . . 99.989999999999995 110.92 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.44 -24.4 65.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 109.285 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.78 -38.35 19.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.218 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.35 84.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 99.989999999999995 109.301 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pp -100.08 156.95 34.71 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.3 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 111.18 3.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.543 1.812 . . . . 99.989999999999995 111.025 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.15 -21.58 41.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.11 . . . . 99.989999999999995 110.976 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -140.57 143.13 35.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 99.989999999999995 110.292 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -109.85 -34.69 6.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.284 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.7 t -92.93 119.31 67.86 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.376 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 154.78 42.36 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.532 1.806 . . . . 99.989999999999995 110.962 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 8.1 mtm -74.24 153.31 88.26 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 111.001 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 159.07 41.48 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.54 1.81 . . . . 99.989999999999995 111.019 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.4 t -138.88 156.72 28.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 109.327 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.09 164.77 26.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.075 . . . . 99.989999999999995 109.254 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 35' ' ' MET . 75.9 m -90.69 -45.36 8.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 110.366 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.99 156.04 18.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 33' ' ' HIS . 42.4 t-80 -71.7 166.34 22.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 99.989999999999995 109.596 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.723 ' HB2' ' CE1' ' A' ' 191' ' ' HIS . . . -86.21 -37.7 18.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.319 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.4 t -92.88 -65.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 109.333 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -54.07 -34.5 60.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.591 1.182 . . . . 99.989999999999995 109.278 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.6 24.7 71.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 111.022 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -124.73 169.93 11.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 99.989999999999995 109.561 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -39.73 135.73 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 110.002 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -94.65 -51.17 4.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 111.056 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.467 ' OG1' ' OH ' ' A' ' 181' ' ' TYR . 0.7 OUTLIER -88.71 -47.26 8.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 99.989999999999995 110.386 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -55.12 127.41 28.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 109.25 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.0 t -116.14 123.49 30.83 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.319 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.18 26.34 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 99.989999999999995 110.999 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -52.98 126.98 22.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.316 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.1 1.62 31.62 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 111.045 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.497 ' HE1' ' CB ' ' A' ' 101' ' ' ASP . 3.3 mtp -115.21 164.67 13.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 99.989999999999995 111.003 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -139.8 159.2 42.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 110.226 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -109.54 148.58 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.27 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.79 131.27 30.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.361 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.3 mt -106.04 130.58 57.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.296 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -144.57 156.22 44.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 99.989999999999995 110.991 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -136.95 133.85 36.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.275 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.471 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 0.5 OUTLIER -138.37 172.19 13.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 110.941 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -49.82 -64.21 3.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 111.005 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 1.43 ' SG ' ' SG ' ' A' ' 198' ' ' CYS . 0.1 OUTLIER -75.25 179.56 5.04 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.3 -1.0 . . . . 99.989999999999995 108.3 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.5 p90 -144.09 -45.08 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 111.046 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.635 ' CH2' ' CE1' ' A' ' 189' ' ' TYR . 14.6 m0 -72.75 -36.89 67.8 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.944 -1.132 . . . . 99.989999999999995 107.944 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.53 -44.25 13.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 111.061 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.4 t -57.3 -59.21 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 0.782 . . . . 99.989999999999995 109.352 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 14.9 pt-20 -50.0 -42.5 49.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 110.331 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.529 ' HA ' ' CD2' ' A' ' 60' ' ' TRP . 2.2 tmt_? -70.17 -30.31 67.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.329 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -25.83 55.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 99.989999999999995 109.369 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.518 ' CD1' HG12 ' A' ' 98' ' ' ILE . 1.0 OUTLIER -72.5 -59.97 2.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.966 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.529 ' CD2' ' HA ' ' A' ' 57' ' ' ARG . 0.7 OUTLIER -62.24 -15.81 49.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 107.969 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.402 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 8.8 mm-40 -83.07 -7.98 59.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 110.288 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.8 mt -87.57 137.38 32.21 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 109.268 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 108.19 2.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.444 1.76 . . . . 99.989999999999995 111.012 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.73 -9.86 4.91 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 111.036 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.454 HG11 ' CG2' ' A' ' 68' ' ' THR . 20.1 t -86.83 121.9 38.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.529 0.782 . . . . 99.989999999999995 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.475 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 5.2 t80 -77.95 -39.15 43.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.174 . . . . 99.989999999999995 111.065 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -169.71 154.97 5.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.968 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.454 ' CG2' HG11 ' A' ' 65' ' ' VAL . 69.3 p -132.22 171.15 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.404 1.065 . . . . 99.989999999999995 110.362 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.541 ' CB ' ' OE1' ' A' ' 187' ' ' GLN . . . -165.22 148.05 8.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 99.989999999999995 109.289 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -101.53 139.64 36.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.355 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.442 ' HA2' ' HB1' ' A' ' 182' ' ' ALA . . . -160.84 -162.38 12.52 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 111.012 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -150.01 155.56 40.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 0.727 . . . . 99.989999999999995 111.055 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 74' ' ' GLY . 1.0 OUTLIER -171.67 174.0 4.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.373 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.45 ' N ' ' OG1' ' A' ' 73' ' ' THR . . . 98.09 -13.93 62.98 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 111.025 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.545 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -85.18 -173.2 49.68 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.949 -0.86 . . . . 99.989999999999995 110.949 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -112.82 -21.15 11.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 0.733 . . . . 99.989999999999995 110.983 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.446 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 39.2 m -74.87 117.57 63.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 110.357 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 132.06 14.96 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.521 1.8 . . . . 99.989999999999995 111.001 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.431 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 5.9 m-80 54.98 63.74 6.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 109.241 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.565 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -75.03 172.68 15.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.55 1.816 . . . . 99.989999999999995 111.011 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.2 p -119.88 154.01 35.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 99.989999999999995 110.388 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -56.26 -34.31 66.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 110.964 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -69.05 -48.64 62.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.291 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -67.52 -41.88 83.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 110.305 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 52.8 t -56.09 -38.04 51.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.228 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.401 ' HA ' ' OE1' ' A' ' 133' ' ' GLN . 18.0 t -70.59 -32.05 69.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.001 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 m -66.42 -38.68 88.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.982 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.69 12.22 57.11 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 111.046 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -84.02 -21.59 31.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 99.989999999999995 109.364 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.4 p -81.56 -18.27 45.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 110.412 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.94 17.36 54.82 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 111.037 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.565 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 38.2 m-70 -86.59 155.72 20.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 0.812 . . . . 99.989999999999995 109.625 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -113.07 156.98 22.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 109.334 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -82.1 109.71 16.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 110.335 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -121.06 167.99 12.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.336 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 76.1 t -140.01 134.69 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.326 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -89.95 118.13 29.28 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 110.332 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.518 HG12 ' CD1' ' A' ' 59' ' ' PHE . 4.6 mp -113.9 129.61 69.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.43 1.081 . . . . 99.989999999999995 109.271 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.0 t -119.38 100.29 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.219 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.494 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 23.7 p90 -126.75 177.39 6.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 111.007 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.497 ' CB ' ' HE1' ' A' ' 42' ' ' MET . 0.0 OUTLIER -112.78 135.75 21.6 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.298 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -0.49 10.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 99.989999999999995 110.998 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.3 m -93.15 -23.86 18.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.986 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 76.9 t -99.27 -48.74 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 109.269 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.8 tt -122.41 162.05 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.392 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.6 p -117.71 153.67 32.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 99.989999999999995 110.007 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.506 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 15.9 p90 -58.22 -28.52 64.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 99.989999999999995 111.012 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.506 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -67.85 -38.7 83.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.578 1.174 . . . . 99.989999999999995 110.271 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -65.04 -44.89 87.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 99.989999999999995 110.264 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.494 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 36.3 mt -58.67 -51.89 68.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 109.312 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.41 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 9.3 mt -60.3 -47.58 85.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.274 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -53.32 -53.51 49.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 110.362 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.93 -44.53 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.276 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -55.86 -52.56 63.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 110.979 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.546 ' CZ2' HD11 ' A' ' 138' ' ' ILE . 84.5 m95 -63.07 -16.33 59.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 107.985 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -86.08 -35.99 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 110.303 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.471 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 0.8 OUTLIER -92.94 -0.13 57.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 99.989999999999995 109.272 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.538 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -73.53 174.88 7.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.619 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.538 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 8.4 m-20 -117.4 144.48 34.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 109.304 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 159.85 40.86 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.514 1.797 . . . . 99.989999999999995 110.938 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.92 124.98 32.26 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 109.258 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -138.51 48.69 1.93 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.581 1.176 . . . . 99.989999999999995 110.289 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 82.26 28.36 40.82 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 110.993 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -39.4 101.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 99.989999999999995 111.009 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.28 171.61 14.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.562 1.164 . . . . 99.989999999999995 110.303 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -122.82 121.42 36.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.324 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -148.78 -76.99 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 111.102 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -60.8 169.75 1.76 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 0.75 . . . . 99.989999999999995 109.286 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.2 93.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.243 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.73 169.91 13.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 109.563 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.521 ' O ' ' CE2' ' A' ' 134' ' ' TYR . . . -119.12 99.41 0.77 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 111.048 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 92.8 m -82.62 -0.5 47.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 99.989999999999995 110.398 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.401 ' OE1' ' HA ' ' A' ' 86' ' ' SER . 14.8 pt20 -47.71 -25.76 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 99.989999999999995 110.333 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 23.8 p90 -117.75 133.84 55.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 111.059 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.1 ptp85 -146.2 174.67 11.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 110.362 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 12.4 m -96.24 117.36 30.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 110.067 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.552 ' HB3' ' CE2' ' A' ' 139' ' ' TYR . . . -151.53 158.99 44.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 109.315 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.546 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 77.3 mt -118.59 133.17 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.313 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.552 ' CE2' ' HB3' ' A' ' 137' ' ' ALA . 83.3 m-85 -130.1 75.17 79.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 99.989999999999995 111.009 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.542 ' O ' ' CB ' ' A' ' 176' ' ' ALA . 17.9 Cg_endo -75.03 167.31 27.31 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.479 1.778 . . . . 99.989999999999995 110.939 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.09 -52.77 2.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 99.989999999999995 109.271 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 58.8 p -71.64 159.0 86.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 110.387 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.44 2.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.421 1.748 . . . . 99.989999999999995 110.936 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -38.55 91.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.255 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -64.78 -42.13 95.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 99.989999999999995 110.313 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -41.87 98.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.575 1.172 . . . . 99.989999999999995 109.318 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.487 ' O ' ' CB ' ' A' ' 151' ' ' ALA . . . -71.26 -32.3 68.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.285 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -74.86 -37.69 62.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.254 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -65.82 -58.77 4.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.338 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -60.3 -28.89 68.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 110.28 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 147' ' ' ALA . . . -69.62 -35.64 75.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.272 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 78.1 p -74.04 -49.95 21.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 110.052 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.485 ' C ' ' CD2' ' A' ' 153' ' ' LEU . 0.4 OUTLIER -59.14 -44.47 92.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 99.989999999999995 109.289 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -52.98 -38.64 62.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.386 1.054 . . . . 99.989999999999995 110.345 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -83.85 -35.15 24.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 99.989999999999995 110.309 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.429 ' CE1' ' HB3' ' A' ' 115' ' ' TRP . 2.2 t80 -61.35 -47.17 87.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 110.969 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 160' ' ' MET . 1.8 pt20 -63.16 -31.73 72.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 110.357 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.39 -33.08 69.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.338 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.45 -49.18 78.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.307 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.485 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 5.6 ptm -68.32 -32.77 73.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.975 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.485 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -66.04 -43.86 86.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 99.989999999999995 109.378 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.52 -23.3 66.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 109.336 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -85.61 -3.83 58.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 109.282 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.8 OUTLIER 77.76 31.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.366 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -91.89 110.68 22.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 109.281 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -87.55 12.46 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.31 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -106.27 89.68 3.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 110.285 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.462 ' HA ' ' CE ' ' A' ' 160' ' ' MET . 9.0 p-80 -73.74 145.75 44.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 99.989999999999995 109.606 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.11 141.65 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 109.337 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 40.3 p -89.41 41.17 1.02 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 110.371 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 5.9 t -93.09 133.41 36.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 110.402 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.64 133.2 54.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 110.296 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 12.2 mt -105.18 121.31 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 109.336 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -136.21 166.17 24.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 99.989999999999995 109.348 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -49.75 159.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 109.275 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 140' ' ' PRO . . . -74.03 82.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 109.331 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 2.0 p -59.4 163.65 6.21 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 99.989999999999995 110.367 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 115.23 4.22 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.406 1.74 . . . . 99.989999999999995 111.029 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.3 OUTLIER -78.51 140.46 38.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 111.028 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -119.57 109.61 15.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.405 1.065 . . . . 99.989999999999995 110.967 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . 0.467 ' OH ' ' OG1' ' A' ' 36' ' ' THR . 62.7 m-85 -41.06 155.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 110.989 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.442 ' HB1' ' HA2' ' A' ' 71' ' ' GLY . . . -109.83 173.11 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 109.31 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 2.0 tp10 -38.66 131.56 1.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 110.235 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -53.53 -22.49 8.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.332 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -44.94 34.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.28 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . 0.481 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 39.2 m-70 -65.55 -45.14 84.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.634 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . 0.59 ' O ' ' HG2' ' A' ' 188' ' ' GLN . 7.5 mt-30 -53.58 131.9 39.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 110.334 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' A' ' 187' ' ' GLN . 0.0 OUTLIER 39.23 50.22 1.88 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.482 1.113 . . . . 99.989999999999995 110.294 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.635 ' CE1' ' CH2' ' A' ' 53' ' ' TRP . 3.3 t80 -83.82 -31.06 26.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 111.018 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.427 HD22 ' O ' ' A' ' 53' ' ' TRP . 20.7 tp -75.44 -23.39 56.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 99.989999999999995 109.335 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.723 ' CE1' ' HB2' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -56.26 -30.6 62.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 109.615 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -71.09 -31.39 67.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 109.332 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.43 ' ND2' ' N ' ' A' ' 193' ' ' ASN . 0.2 OUTLIER -139.35 102.08 7.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.296 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -14.27 21.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.564 1.823 . . . . 99.989999999999995 111.083 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -94.71 26.53 3.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.972 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -112.61 51.4 0.7 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 110.972 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -63.57 141.46 58.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 0.726 . . . . 99.989999999999995 111.013 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . 1.43 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 30.2 p -102.7 -31.69 10.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 108.27 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 150.78 96.8 0.15 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.544 1.152 . . . . 99.989999999999995 111.049 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 202' ' ' GLY . 7.1 mm -103.7 -67.56 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.599 0.823 . . . . 99.989999999999995 109.286 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -66.8 68.92 0.18 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 110.945 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 200' ' ' ILE . . . 94.21 -179.79 37.99 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.985 -0.846 . . . . 99.989999999999995 110.985 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 13.2 tt -65.84 138.22 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 99.989999999999995 109.321 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -79.47 -133.35 0.98 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.991 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 35.5 m -122.98 121.71 63.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.535 0.785 . . . . 99.989999999999995 109.324 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.35 100.42 11.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.907 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 69.1 mt -82.25 152.12 67.29 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 109.329 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 167.55 26.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 99.989999999999995 111.025 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -178.82 4.43 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.419 1.747 . . . . 99.989999999999995 110.995 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -41.47 120.44 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.622 1.201 . . . . 99.989999999999995 110.301 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.398 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.404 ' N ' ' HB2' ' A' ' 5' ' ' LYS . 51.5 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.011 -0.366 . . . . 99.989999999999995 110.011 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mp -62.61 -55.13 29.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 109.306 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -132.74 -59.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 110.955 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -155.68 82.06 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 109.267 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.404 ' HB2' ' N ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -124.03 118.44 26.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.321 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -80.05 56.87 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.317 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -144.88 130.55 19.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 109.601 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -51.52 -179.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 99.989999999999995 109.304 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p -123.95 148.8 27.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.39 1.056 . . . . 99.989999999999995 109.323 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.42 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.3 OUTLIER -92.11 173.82 4.81 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 110.013 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 10' ' ' SER . 18.5 Cg_endo -74.98 -41.51 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.435 1.755 . . . . 99.989999999999995 111.024 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.49 -25.22 63.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 109.353 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -85.41 -37.09 20.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.293 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.77 165.9 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 99.989999999999995 109.28 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 mp -100.7 149.3 36.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 109.31 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -74.94 98.5 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.474 1.776 . . . . 99.989999999999995 111.011 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.482 ' CA ' ' HD2' ' A' ' 78' ' ' PRO . . . 38.49 -159.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 110.974 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.42 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 1.7 tpm_? -113.38 151.81 30.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 0.754 . . . . 99.989999999999995 110.348 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -74.33 -26.62 60.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.34 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.401 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 2.6 m -110.85 139.05 21.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 110.398 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 20' ' ' THR . 18.1 Cg_endo -75.06 149.41 36.4 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.81 . . . . 99.989999999999995 110.925 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.0 mtp -79.01 120.42 80.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 110.96 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 125.3 9.21 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.511 1.795 . . . . 99.989999999999995 110.985 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.504 HG11 ' CE2' ' A' ' 181' ' ' TYR . 11.0 t -139.78 150.59 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 109.293 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.61 164.91 24.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.3 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.406 HG22 ' CD1' ' A' ' 27' ' ' LEU . 8.9 m -88.33 -45.02 10.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 99.989999999999995 110.401 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.406 ' CD1' HG22 ' A' ' 26' ' ' THR . 0.3 OUTLIER -104.76 157.56 17.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 109.279 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -70.86 158.44 36.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.615 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.576 ' HB3' ' CE1' ' A' ' 191' ' ' HIS . . . -85.73 -33.12 21.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 99.989999999999995 109.337 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.33 -66.62 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 109.282 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 66' ' ' TYR . 53.5 t30 -54.16 -36.64 63.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 99.989999999999995 109.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.07 29.29 70.71 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 111.036 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.73 170.08 16.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 0.786 . . . . 99.989999999999995 109.645 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 m -39.79 138.48 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 110.013 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.17 -62.1 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 110.995 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.2 p -70.93 -45.14 64.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.379 1.05 . . . . 99.989999999999995 110.4 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -55.3 132.46 47.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 109.376 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.7 t -127.81 112.91 20.55 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.294 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 148.23 35.27 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.488 1.783 . . . . 99.989999999999995 110.98 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.02 133.69 51.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 109.368 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.4 -12.86 33.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 111.023 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.509 ' HE1' ' CG ' ' A' ' 66' ' ' TYR . 6.7 mmt -103.39 161.88 13.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 0.803 . . . . 99.989999999999995 111.047 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -137.62 160.65 38.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 110.261 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mt -115.52 150.89 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.261 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.539 ' HB1' ' CE2' ' A' ' 47' ' ' PHE . . . -140.39 130.81 25.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 109.331 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.5 mt -110.54 128.92 66.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.218 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.539 ' CE2' ' HB1' ' A' ' 45' ' ' ALA . 51.5 m-85 -148.06 152.35 37.23 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.987 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -123.9 115.26 21.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.33 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.96 -177.39 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 111.014 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -54.7 -95.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 110.969 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.86 -179.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.262 -1.014 . . . . 99.989999999999995 108.262 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 6.0 p90 -137.3 -45.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 111.016 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -61.94 -45.51 93.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 108.003 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.49 -41.08 21.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 110.969 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.496 HG13 ' CD2' ' A' ' 59' ' ' PHE . 90.3 t -59.39 -55.38 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 99.989999999999995 109.313 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.496 ' O ' ' CE3' ' A' ' 60' ' ' TRP . 1.4 tt0 -54.69 -38.66 67.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 110.332 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.577 ' HA ' ' CZ3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -72.16 -34.76 68.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 99.989999999999995 110.33 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -35.06 62.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 99.989999999999995 109.278 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.523 ' CD1' HG12 ' A' ' 98' ' ' ILE . 0.9 OUTLIER -62.74 -65.54 0.67 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 111.004 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.577 ' CZ3' ' HA ' ' A' ' 57' ' ' ARG . 0.6 OUTLIER -56.3 -21.75 26.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.023 -1.102 . . . . 99.989999999999995 108.023 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.478 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 4.3 mm-40 -76.29 -20.45 57.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.243 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.437 ' CD2' ' HD2' ' A' ' 63' ' ' PRO . 1.6 tt -67.94 139.35 93.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.317 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.437 ' HD2' ' CD2' ' A' ' 62' ' ' LEU . 18.4 Cg_endo -74.97 114.58 4.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 99.989999999999995 111.058 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.75 -13.86 7.65 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.956 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.44 HG23 ' CG2' ' A' ' 98' ' ' ILE . 54.1 t -88.68 124.09 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 99.989999999999995 109.271 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.509 ' CG ' ' HE1' ' A' ' 42' ' ' MET . 0.8 OUTLIER -77.97 -47.58 18.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 110.994 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 p -162.72 163.03 27.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 99.989999999999995 109.934 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.7 p -142.98 169.79 16.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.449 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.61 139.39 16.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 109.272 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.16 129.91 44.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.292 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.481 ' HA2' ' N ' ' A' ' 182' ' ' ALA . . . -150.59 -166.88 13.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 111.056 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.573 ' CE2' ' HA ' ' A' ' 182' ' ' ALA . 4.8 m-85 -122.31 152.12 40.42 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.528 0.781 . . . . 99.989999999999995 110.967 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' A' ' 72' ' ' TYR . 77.7 p -154.46 171.28 19.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 110.411 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.52 -20.5 30.61 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 111.004 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.59 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -83.28 -172.46 48.74 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.997 -0.841 . . . . 99.989999999999995 110.997 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 14.1 m-85 -113.66 -25.68 8.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 99.989999999999995 111.008 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.41 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 15.7 m -75.7 119.28 76.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 99.989999999999995 110.343 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.482 ' HD2' ' CA ' ' A' ' 17' ' ' GLY . 18.4 Cg_endo -74.96 138.79 23.59 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 99.989999999999995 111.072 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.49 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 7.0 p-10 41.66 60.47 8.7 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.267 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.567 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -75.01 178.1 7.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.505 1.792 . . . . 99.989999999999995 110.98 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.7 m -107.67 153.89 22.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 110.406 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -60.6 -38.3 84.19 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 110.996 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.66 -46.99 88.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 110.279 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.9 -41.63 82.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 99.989999999999995 110.349 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.0 t -52.91 -47.45 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 99.989999999999995 109.235 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -28.31 69.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 110.022 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.35 -33.98 76.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.981 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.55 13.16 73.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.536 1.148 . . . . 99.989999999999995 110.99 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.84 4.6 49.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 0.777 . . . . 99.989999999999995 109.271 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.7 p -110.97 -18.89 12.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.347 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.94 17.71 61.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 111.075 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.59 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 17.6 m-70 -82.25 163.33 21.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 99.989999999999995 109.621 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -130.25 175.2 9.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.35 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 66.1 mm-40 -77.75 125.17 28.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.621 1.2 . . . . 99.989999999999995 110.338 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -151.53 153.66 35.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 99.989999999999995 109.328 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.1 m -139.57 153.27 23.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 99.989999999999995 109.286 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -105.54 136.81 44.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.322 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.523 HG12 ' CD1' ' A' ' 59' ' ' PHE . 4.7 mp -128.67 128.07 67.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 109.353 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.2 t -116.11 105.16 17.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 99.989999999999995 109.295 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.445 ' CD2' HG21 ' A' ' 105' ' ' ILE . 17.6 p90 -128.98 173.29 10.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 110.943 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.45 130.54 25.51 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.435 1.084 . . . . 99.989999999999995 109.243 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.11 10.79 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.536 1.808 . . . . 99.989999999999995 111.013 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.46 -13.68 15.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 110.004 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.4 t -96.54 -47.14 12.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 99.989999999999995 109.341 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.445 HG21 ' CD2' ' A' ' 100' ' ' TYR . 17.7 tt -129.28 166.19 27.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 109.389 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.8 p -111.31 153.07 26.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 99.989999999999995 110.007 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 26.0 p90 -58.09 -38.18 75.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 99.989999999999995 111.066 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.637 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 1.1 tt0 -57.59 -38.86 75.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 110.327 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -65.95 -44.2 85.74 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 110.279 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.9 mt -60.87 -44.75 96.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.274 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.82 -41.22 92.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.334 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -53.33 -54.49 35.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 110.283 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 84.7 t -59.99 -44.57 94.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 99.989999999999995 109.344 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 118' ' ' HIS . 24.0 t80 -55.02 -51.2 67.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 111.025 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -67.71 -19.45 65.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.917 -1.142 . . . . 99.989999999999995 107.917 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -80.6 -38.1 29.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.387 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -94.65 -5.21 46.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 99.989999999999995 109.323 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.54 ' CE1' ' OD1' ' A' ' 119' ' ' ASP . 44.4 t60 -71.25 165.17 24.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.576 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.54 ' OD1' ' CE1' ' A' ' 118' ' ' HIS . 12.4 p-10 -102.03 147.04 33.35 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.272 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 158.71 41.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.544 1.812 . . . . 99.989999999999995 110.969 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -86.17 131.92 34.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.272 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -126.3 36.03 4.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 110.281 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 93.35 24.55 21.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 111.022 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.21 108.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 99.989999999999995 111.028 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -107.25 172.97 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 110.276 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -81.09 145.0 31.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.105 . . . . 99.989999999999995 110.326 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 118.65 96.97 1.78 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 111.017 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -45.75 126.04 6.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 99.989999999999995 109.348 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -142.23 -49.67 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.306 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -113.01 66.1 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 109.637 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.507 ' O ' ' CE2' ' A' ' 134' ' ' TYR . . . 45.82 90.32 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.577 1.173 . . . . 99.989999999999995 110.917 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 134' ' ' TYR . 3.7 m -85.29 -0.85 56.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 0.81 . . . . 99.989999999999995 110.355 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 132' ' ' THR . 4.3 mt-30 -38.96 -31.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 110.325 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.534 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 28.4 p90 -112.21 125.85 54.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 111.004 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.24 163.27 30.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 110.339 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 33.3 p -98.26 97.18 8.61 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 110.036 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.447 ' HB3' ' CE1' ' A' ' 139' ' ' TYR . . . -130.04 155.15 46.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 109.376 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 47.1 mt -120.75 133.45 67.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 109.378 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 137' ' ' ALA . 30.9 m-85 -130.28 78.18 74.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.17 . . . . 99.989999999999995 110.991 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 169.62 22.22 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.438 1.757 . . . . 99.989999999999995 110.944 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -110.21 -49.72 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.256 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.417 ' OG1' ' CG ' ' A' ' 145' ' ' GLN . 77.9 p -77.07 161.75 72.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.41 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -33.88 4.32 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.481 1.78 . . . . 99.989999999999995 111.047 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.19 -46.49 83.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 110.287 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.417 ' CG ' ' OG1' ' A' ' 142' ' ' THR . 88.3 mt-30 -57.8 -46.51 84.53 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 110.246 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.26 -46.08 76.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.271 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 151' ' ' ALA . . . -63.69 -45.56 89.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.301 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.482 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -63.54 -36.68 84.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 109.319 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -63.49 -59.07 5.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.332 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -64.2 -35.75 81.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 110.301 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 147' ' ' ALA . . . -60.39 -35.35 75.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 109.35 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 53.5 p -77.8 -33.32 52.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 110.046 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.444 ' C ' ' CD2' ' A' ' 153' ' ' LEU . 3.0 tt -68.3 -51.2 47.38 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.304 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -24.25 65.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.322 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.16 -56.78 4.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 110.307 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -60.65 -39.19 87.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 110.963 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.471 ' O ' ' CG ' ' A' ' 160' ' ' MET . 5.5 tt0 -62.05 -45.18 94.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 99.989999999999995 110.27 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.85 -32.22 67.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 109.284 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.24 -49.37 77.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 109.294 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.496 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 5.5 ptm -67.92 -32.64 73.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.394 1.059 . . . . 99.989999999999995 110.973 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.496 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -61.87 -39.55 92.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.281 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.7 -19.63 65.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.289 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -89.01 -2.96 58.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.31 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 74.28 32.02 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.305 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.4 121.85 41.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 99.989999999999995 109.299 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.87 17.44 7.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 109.243 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -95.3 69.12 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 110.31 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.1 140.78 54.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.645 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.7 mp -73.85 126.98 35.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.316 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 4.2 p -86.89 49.2 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 110.38 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.3 m -90.01 136.01 33.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 99.989999999999995 110.414 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -121.3 132.04 54.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.088 . . . . 99.989999999999995 110.282 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 14.4 mt -109.19 126.13 66.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 99.989999999999995 109.324 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -141.61 164.21 30.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 109.246 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -46.06 167.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.276 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -87.96 89.2 7.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 109.273 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' THR . . . . . 0.473 ' HB ' ' HD2' ' A' ' 178' ' ' PRO . 6.7 p -65.98 170.01 5.89 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 110.389 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . 0.473 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -75.15 110.99 3.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 99.989999999999995 110.976 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -76.26 135.62 39.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 111.054 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . 0.417 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 15.8 m-85 -121.21 118.58 29.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 110.984 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . 0.504 ' CE2' HG11 ' A' ' 24' ' ' VAL . 61.0 m-85 -37.67 159.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 110.981 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.573 ' HA ' ' CE2' ' A' ' 72' ' ' TYR . . . -93.74 -66.38 0.92 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 109.337 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.566 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 2.7 tp10 -163.58 147.47 10.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 110.339 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.41 -21.83 66.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.24 -40.3 30.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.296 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . 0.566 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 4.5 m-70 -81.03 -32.41 34.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.55 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . 0.471 ' C ' ' CG ' ' A' ' 188' ' ' GLN . 2.2 tp60 -55.07 116.35 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 110.344 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.502 ' OE1' ' CB ' ' A' ' 29' ' ' ALA . 0.7 OUTLIER 43.64 55.55 4.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.36 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.46 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 63.4 t80 -85.81 -49.57 7.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 111.061 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.421 HD22 ' CB ' ' A' ' 57' ' ' ARG . 9.1 tp -55.63 -22.39 22.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 109.217 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -55.5 -35.79 65.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 109.639 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . 0.427 ' HG2' ' ND2' ' A' ' 193' ' ' ASN . 32.9 pttt -90.06 -22.82 21.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.082 . . . . 99.989999999999995 109.32 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.3 OUTLIER -122.8 90.88 49.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 109.231 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -16.46 20.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.539 1.81 . . . . 99.989999999999995 111.016 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -95.44 4.57 53.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.981 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . 0.414 ' CA ' HD13 ' A' ' 190' ' ' LEU . . . -74.69 55.6 2.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 110.965 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -53.79 141.69 26.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 99.989999999999995 110.96 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.73 167.16 21.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 108.342 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -79.31 135.94 16.37 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.456 1.098 . . . . 99.989999999999995 111.0 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 26.3 mm -84.15 -67.36 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.506 0.768 . . . . 99.989999999999995 109.338 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -174.88 58.13 0.12 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 110.988 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -128.9 72.69 0.47 Allowed Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.987 -0.845 . . . . 99.989999999999995 110.987 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . 0.428 ' O ' ' CG1' ' A' ' 203' ' ' ILE . 4.1 tt -99.12 10.09 7.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.51 0.771 . . . . 99.989999999999995 109.311 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 39.08 -124.39 1.75 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 111.048 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 6.2 m -123.73 143.74 35.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.438 0.728 . . . . 99.989999999999995 109.308 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.55 -75.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.935 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 208' ' ' PRO . 33.2 mt -91.9 143.62 28.05 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 99.989999999999995 109.313 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 207' ' ' LEU . 18.3 Cg_endo -75.03 161.6 38.42 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.547 1.814 . . . . 99.989999999999995 110.976 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 140.46 25.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.793 . . . . 99.989999999999995 111.045 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -55.6 122.85 12.26 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.557 1.161 . . . . 99.989999999999995 110.25 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 109.302 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 110.027 -0.36 . . . . 99.989999999999995 110.027 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.444 ' C ' ' CD2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -65.63 159.87 23.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 109.308 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -79.75 171.63 14.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 110.998 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -56.71 108.61 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 99.989999999999995 109.261 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -78.4 79.21 4.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 109.278 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -105.05 -62.04 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 109.214 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -128.1 -45.86 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.625 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.12 133.91 38.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 109.234 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 91' ' ' GLY . 13.4 p -67.8 153.66 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.414 1.071 . . . . 99.989999999999995 109.288 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.36 167.33 36.36 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 99.989999999999995 110.067 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.9 1.82 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.546 1.814 . . . . 99.989999999999995 110.905 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.52 -33.43 75.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.311 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.65 -36.7 28.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 109.302 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.41 140.65 21.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 99.989999999999995 109.24 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.2 mt -99.9 154.72 37.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 99.989999999999995 109.28 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 101.05 1.42 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.485 1.782 . . . . 99.989999999999995 111.002 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.0 -119.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 111.077 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 ttp85 -133.88 160.81 36.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 0.792 . . . . 99.989999999999995 110.259 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -95.07 -36.54 11.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 109.334 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -82.92 123.37 77.89 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 99.989999999999995 110.463 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 155.06 42.77 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.789 . . . . 99.989999999999995 110.981 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.16 150.57 96.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.597 1.186 . . . . 99.989999999999995 110.932 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 143.63 29.16 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.464 1.77 . . . . 99.989999999999995 111.03 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.426 HG22 ' CD1' ' A' ' 181' ' ' TYR . 55.2 t -139.15 128.23 29.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 109.279 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -42.18 156.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.284 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 m -80.24 -45.13 18.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 110.4 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.405 HD11 ' N ' ' A' ' 34' ' ' SER . 0.5 OUTLIER -98.9 155.73 17.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.286 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.584 ' CE1' ' OE1' ' A' ' 188' ' ' GLN . 25.9 t-80 -71.07 163.88 26.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 109.645 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.468 ' CB ' ' OE1' ' A' ' 188' ' ' GLN . . . -87.13 -30.32 21.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.285 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.458 ' HB ' ' CE1' ' A' ' 28' ' ' HIS . 69.3 t -95.41 -67.79 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.319 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 32.2 m-80 -55.1 -36.01 65.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 109.301 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 69.26 25.04 75.79 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 110.996 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.596 ' CG ' ' N ' ' A' ' 34' ' ' SER . 13.5 t60 -126.89 170.13 12.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 99.989999999999995 109.561 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.596 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 3.1 m -42.81 132.77 3.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 110.052 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.37 -64.39 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 111.027 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 t -61.64 -51.89 66.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 110.416 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -54.87 126.05 22.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.329 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 t -111.56 134.45 21.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.242 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.575 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -75.02 147.93 34.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.812 . . . . 99.989999999999995 110.983 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.47 112.57 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 109.332 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.31 10.48 23.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 99.989999999999995 110.995 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.468 ' CE ' ' HB2' ' A' ' 66' ' ' TYR . 3.7 tpt -100.52 161.02 13.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 0.756 . . . . 99.989999999999995 110.975 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -141.52 145.48 35.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 110.339 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 45' ' ' ALA . 3.5 mp -106.57 145.36 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 109.293 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -123.19 129.54 51.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.254 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.6 mt -118.53 131.89 70.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 109.341 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.836 ' CE2' ' CZ ' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -156.97 165.82 35.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 110.935 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -136.43 114.54 11.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.269 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 1.6 ptm -148.48 131.96 16.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 99.989999999999995 110.984 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 49' ' ' MET . . . 34.6 -146.95 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.419 1.075 . . . . 99.989999999999995 110.987 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.0 p -61.1 173.93 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.276 -1.009 . . . . 99.989999999999995 108.276 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.486 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 7.5 p90 -127.98 -1.55 5.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 110.957 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -87.93 -50.66 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 107.957 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.44 -34.31 40.71 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 111.041 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.1 t -71.04 -54.02 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.739 . . . . 99.989999999999995 109.364 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.486 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 15.0 tt0 -48.03 -51.37 24.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.237 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.673 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 2.1 ptt180 -64.23 -24.97 67.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 110.276 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.433 HD21 ' ND2' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -78.29 -24.79 46.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 109.284 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.836 ' CZ ' ' CE2' ' A' ' 47' ' ' PHE . 5.6 m-85 -84.4 -57.82 3.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 111.044 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.673 ' CE3' ' HA ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -55.66 -26.82 46.57 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.493 1.12 . . . . 99.989999999999995 107.986 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 73.2 mt-30 -76.09 -9.91 59.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.342 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.18 144.63 63.1 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.308 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 124.01 8.28 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 99.989999999999995 110.933 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 100' ' ' TYR . . . 117.5 -16.66 12.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 111.06 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.7 t -76.63 110.0 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 99.989999999999995 109.344 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CE2' ' HG3' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -75.37 -47.94 25.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 110.961 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.0 m -144.44 152.01 40.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 110.015 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.526 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 2.4 m -137.13 140.28 41.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 99.989999999999995 110.335 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.414 ' HA ' ' NE2' ' A' ' 187' ' ' GLN . . . -139.69 166.03 25.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 109.292 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 182' ' ' ALA . . . -132.31 140.53 48.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 109.268 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.465 ' HA2' ' CB ' ' A' ' 182' ' ' ALA . . . -164.08 -155.68 8.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 110.973 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -132.24 168.91 17.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 99.989999999999995 111.01 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -175.77 161.93 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 99.989999999999995 110.353 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.36 -18.14 55.82 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 111.023 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.557 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -85.8 -176.18 50.15 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.935 -0.866 . . . . 99.989999999999995 110.935 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -114.97 -19.78 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 99.989999999999995 111.051 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 1.2 m -74.87 121.6 85.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.173 . . . . 99.989999999999995 110.413 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 141.06 26.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.455 1.766 . . . . 99.989999999999995 110.957 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.426 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 17.0 t-20 42.44 63.7 6.78 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 99.989999999999995 109.274 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.57 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -74.97 161.96 37.98 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.5 1.789 . . . . 99.989999999999995 111.011 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.1 p -110.14 153.39 24.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.41 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -54.69 -35.55 63.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 111.002 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -63.41 -47.49 81.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.173 . . . . 99.989999999999995 110.326 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.459 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 49.8 mt-10 -72.31 -45.1 61.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 110.283 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.6 t -51.53 -38.82 21.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.269 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.4 t -72.24 -33.62 67.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.088 . . . . 99.989999999999995 110.019 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.6 m -63.74 -39.55 94.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 99.989999999999995 109.944 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.01 8.35 59.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 111.029 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -80.78 -17.36 51.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 99.989999999999995 109.317 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.459 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 8.5 p -88.77 -19.42 26.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 110.387 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.415 ' N ' HG12 ' A' ' 9' ' ' VAL . . . 64.13 15.34 58.44 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 110.966 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.57 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 30.5 m-70 -83.71 151.3 25.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.77 . . . . 99.989999999999995 109.588 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -121.46 168.5 11.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 99.989999999999995 109.28 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.463 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 0.2 OUTLIER -70.24 129.32 39.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 110.306 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -156.31 151.37 26.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 109.263 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.8 m -140.68 164.92 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 109.319 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.13 122.24 35.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 110.298 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.614 ' CD1' ' CZ ' ' A' ' 47' ' ' PHE . 1.6 mp -111.69 132.28 60.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 109.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 66' ' ' TYR . 11.6 t -109.55 108.84 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 109.309 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 8.5 p90 -128.48 172.27 11.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 99.989999999999995 110.995 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.4 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 0.4 OUTLIER -112.26 133.05 21.83 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 109.274 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -1.09 10.76 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.498 1.789 . . . . 99.989999999999995 111.011 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.09 -25.33 19.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 110.038 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 77.4 t -109.05 -49.15 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.316 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.521 ' CD1' ' CD ' ' A' ' 109' ' ' GLN . 0.2 OUTLIER -121.93 131.28 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.326 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.428 ' N ' HD12 ' A' ' 105' ' ' ILE . 3.5 p -98.44 150.82 21.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 110.011 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.669 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 2.3 p90 -63.76 -36.63 84.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 110.995 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.669 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 15.6 tt0 -53.11 -48.61 67.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 110.271 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.521 ' CD ' ' CD1' ' A' ' 105' ' ' ILE . 2.0 pt20 -63.36 -36.91 85.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 110.313 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.471 ' HG ' ' CD1' ' A' ' 105' ' ' ILE . 17.2 mt -58.72 -49.51 77.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 109.279 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.432 ' HB3' ' CZ2' ' A' ' 115' ' ' TRP . 26.8 mt -50.88 -39.31 53.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.347 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.45 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -63.11 -34.73 78.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 110.326 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 14.0 t -74.86 -37.58 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 99.989999999999995 109.308 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 118' ' ' HIS . 7.9 m-85 -54.46 -53.16 57.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 111.022 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.574 ' CZ2' ' HB2' ' A' ' 152' ' ' SER . 0.7 OUTLIER -61.31 -23.11 65.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 99.989999999999995 107.981 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.58 -38.24 70.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.326 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.473 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 14.8 t-20 -95.04 -14.48 24.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 99.989999999999995 109.301 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.546 ' HD1' ' N ' ' A' ' 119' ' ' ASP . 16.1 t-80 -69.76 148.67 48.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 109.643 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.546 ' N ' ' HD1' ' A' ' 118' ' ' HIS . 6.9 m-20 -112.23 155.56 43.35 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.162 . . . . 99.989999999999995 109.334 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 160.54 39.97 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.49 1.784 . . . . 99.989999999999995 111.013 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.37 127.83 34.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 109.297 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -106.85 -28.82 9.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.562 1.164 . . . . 99.989999999999995 110.25 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.05 29.94 10.89 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 110.906 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.5 ttp -44.11 142.26 1.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 0.809 . . . . 99.989999999999995 111.025 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -138.37 122.66 18.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 110.3 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -119.11 174.1 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.32 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -170.82 59.02 0.18 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 110.993 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -157.92 -57.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 99.989999999999995 109.251 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.42 122.75 40.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 109.297 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.64 108.06 19.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 109.622 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 117.72 84.1 0.98 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.393 1.058 . . . . 99.989999999999995 110.989 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.601 ' O ' ' CE1' ' A' ' 134' ' ' TYR . 9.1 p -82.07 -17.25 47.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 0.791 . . . . 99.989999999999995 110.39 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 60.72 27.81 17.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 110.24 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.601 ' CE1' ' O ' ' A' ' 132' ' ' THR . 5.8 m-85 -126.91 125.3 41.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 110.962 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -147.32 92.99 2.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 99.989999999999995 110.32 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 73.7 m -60.82 91.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 99.989999999999995 109.992 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -133.99 163.92 28.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 109.282 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.42 ' CG2' ' HD3' ' A' ' 140' ' ' PRO . 30.0 mt -122.85 130.45 74.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.304 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -122.87 75.45 48.16 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 99.989999999999995 111.047 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.42 ' HD3' ' CG2' ' A' ' 138' ' ' ILE . 18.2 Cg_endo -74.98 169.65 22.16 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.481 1.779 . . . . 99.989999999999995 111.013 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.46 HD23 ' CB ' ' A' ' 176' ' ' ALA . 0.2 OUTLIER -109.16 -55.44 2.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 99.989999999999995 109.249 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.6 p -67.97 157.29 87.33 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 110.419 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -42.61 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.544 1.813 . . . . 99.989999999999995 111.026 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.36 -38.67 80.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 110.366 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -68.57 -35.51 77.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.178 . . . . 99.989999999999995 110.339 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -49.24 61.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.377 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.9 -35.44 80.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 109.284 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.9 -45.98 59.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.289 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.41 -56.57 18.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 109.318 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 151' ' ' ALA . 8.6 ptp180 -60.52 -34.33 73.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 110.351 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.421 ' N ' ' HG3' ' A' ' 150' ' ' ARG . . . -60.27 -45.44 93.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.394 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 23.1 p -59.07 -43.55 91.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 99.989999999999995 109.942 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 6.1 tt -53.5 -50.37 65.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 109.311 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -52.53 -46.78 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 110.385 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -40.4 74.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 110.297 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.408 ' CD2' HD12 ' A' ' 169' ' ' ILE . 6.0 t80 -59.84 -48.1 83.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 99.989999999999995 110.93 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 158' ' ' ALA . 1.2 pt20 -70.03 -26.07 63.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 110.283 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 157' ' ' GLN . . . -68.73 -46.95 67.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.296 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.8 96.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 109.295 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.417 ' C ' ' SD ' ' A' ' 160' ' ' MET . 14.5 tmm? -60.64 -48.15 83.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 111.011 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -30.07 71.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 109.302 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.85 -20.06 63.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 109.341 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -89.26 14.46 10.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 109.313 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 2.5 t70 58.7 31.05 20.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 109.314 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.49 136.01 44.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 99.989999999999995 109.383 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -98.13 8.45 44.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 109.205 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.3 mtm-85 -80.19 72.65 7.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.43 1.081 . . . . 99.989999999999995 110.278 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -66.45 142.5 57.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 109.658 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.408 HD12 ' CD2' ' A' ' 156' ' ' PHE . 3.4 mp -78.77 131.01 35.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 109.311 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 27.1 p -85.71 48.21 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 110.389 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 3.2 m -90.73 124.25 34.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 110.384 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.84 140.52 52.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.604 1.19 . . . . 99.989999999999995 110.332 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.1 mp -117.88 127.59 75.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.298 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -140.34 171.74 13.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.077 . . . . 99.989999999999995 109.313 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -42.76 164.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.34 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . 0.46 ' CB ' HD23 ' A' ' 141' ' ' LEU . . . -86.93 87.85 7.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 99.989999999999995 109.327 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 30.1 p -59.66 164.23 5.89 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 110.418 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 117.53 4.96 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.768 . . . . 99.989999999999995 111.001 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.574 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -76.59 141.77 40.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 111.039 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 181' ' ' TYR . 40.3 m-85 -119.37 105.38 11.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 110.996 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 179' ' ' PHE . 18.4 m-85 -35.72 150.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 99.989999999999995 111.003 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.465 ' CB ' ' HA2' ' A' ' 71' ' ' GLY . . . -107.91 173.52 6.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 109.326 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -44.1 141.54 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 110.302 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -54.97 -36.34 65.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.241 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.71 -42.98 89.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 109.345 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -68.26 -46.26 70.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 109.567 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . 0.414 ' NE2' ' HA ' ' A' ' 69' ' ' ALA . 14.6 tp60 -49.46 112.65 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 110.276 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.584 ' OE1' ' CE1' ' A' ' 28' ' ' HIS . 10.0 mt-30 49.42 58.73 5.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 110.333 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.433 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 12.0 t80 -82.06 -37.99 25.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 111.011 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 193' ' ' ASN . 0.5 OUTLIER -72.45 -27.94 62.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 109.259 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.545 ' CD2' ' N ' ' A' ' 192' ' ' LYS . 0.0 OUTLIER -57.07 -38.85 73.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 109.616 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . 0.545 ' N ' ' CD2' ' A' ' 191' ' ' HIS . 9.8 mmmt -65.02 -42.75 94.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 109.325 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 195' ' ' TYR . 0.0 OUTLIER -120.38 103.9 43.76 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 109.298 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -11.48 21.37 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 99.989999999999995 110.999 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 193' ' ' ASN . 47.9 p90 -96.77 13.86 27.08 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.55 1.157 . . . . 99.989999999999995 110.97 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -101.1 58.1 0.68 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 111.031 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -50.98 130.02 24.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 99.989999999999995 110.971 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 10.0 t -53.44 -61.09 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 108.268 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 116.28 60.99 0.33 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 111.029 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 33.3 pt -128.11 176.45 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.739 . . . . 99.989999999999995 109.319 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 124.02 45.09 0.28 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.59 1.181 . . . . 99.989999999999995 111.031 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 67.67 66.33 2.38 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.951 -0.859 . . . . 99.989999999999995 110.951 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -177.6 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 99.989999999999995 109.258 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -159.34 75.85 0.2 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 110.995 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 54.5 t -116.67 -44.14 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 0.771 . . . . 99.989999999999995 109.307 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 77.9 p -51.15 109.03 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 110.042 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 66.1 mt -88.12 152.35 50.44 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 109.306 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 142.12 27.19 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.467 1.772 . . . . 99.989999999999995 110.96 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 167.68 26.51 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.542 1.812 . . . . 99.989999999999995 111.041 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -70.62 149.05 47.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 110.267 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.298 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.046 -0.353 . . . . 99.989999999999995 110.046 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.408 ' H ' ' CD1' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -80.1 156.58 26.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.329 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -50.27 168.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 99.989999999999995 110.973 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -144.88 170.23 16.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 99.989999999999995 109.307 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -142.03 129.03 20.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 109.324 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -107.62 168.66 9.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 99.989999999999995 109.336 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -83.82 179.98 7.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.601 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tp -52.1 145.11 10.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 99.989999999999995 109.352 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 p -112.83 156.96 13.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 109.3 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.49 166.2 35.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 99.989999999999995 110.023 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -33.05 5.04 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.479 1.779 . . . . 99.989999999999995 111.031 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.0 -27.05 54.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 99.989999999999995 109.278 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.07 -37.15 26.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 109.365 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 76' ' ' TYR . . . -50.08 109.7 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.267 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mt -100.34 155.08 36.8 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.339 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 101.53 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.771 . . . . 99.989999999999995 111.041 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.78 -86.3 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.105 . . . . 99.989999999999995 110.997 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.53 163.28 34.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 0.787 . . . . 99.989999999999995 110.306 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -108.07 30.7 6.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.313 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.0 m -101.61 111.1 63.46 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 110.386 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 136.58 20.58 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.463 1.77 . . . . 99.989999999999995 110.961 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.432 ' CE ' HG22 ' A' ' 81' ' ' THR . 0.7 OUTLIER -71.59 150.98 93.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 110.94 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 128.59 11.6 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.495 1.787 . . . . 99.989999999999995 110.996 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.419 HG11 ' CD2' ' A' ' 181' ' ' TYR . 3.0 t -123.06 136.24 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.268 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.15 153.21 42.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 109.285 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.437 ' CG2' HD11 ' A' ' 27' ' ' LEU . 18.2 m -78.5 -44.1 25.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 110.399 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.437 HD11 ' CG2' ' A' ' 26' ' ' THR . 0.0 OUTLIER -103.45 132.28 49.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.31 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.575 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 25.4 t-80 -44.44 160.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 109.601 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.505 ' CB ' ' OE1' ' A' ' 188' ' ' GLN . . . -84.51 -29.69 25.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 99.989999999999995 109.286 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.591 HG12 ' CD2' ' A' ' 60' ' ' TRP . 55.3 t -95.39 -66.34 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.277 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -54.83 -39.96 69.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 109.262 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.36 19.61 79.37 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 111.004 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.472 ' CG ' ' N ' ' A' ' 34' ' ' SER . 21.7 t60 -122.99 162.67 21.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 0.722 . . . . 99.989999999999995 109.627 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.472 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 1.0 OUTLIER -42.34 142.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.985 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.8 mtp -98.33 -60.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 110.974 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.1 t -60.65 -47.68 85.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.415 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.436 ' HB2' ' CB ' ' A' ' 34' ' ' SER . 3.5 m-80 -54.32 125.63 20.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 109.217 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.3 t -116.17 117.23 39.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.291 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 146.19 32.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.778 . . . . 99.989999999999995 111.044 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.99 131.66 47.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 99.989999999999995 109.274 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.33 2.15 59.08 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 111.018 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.458 ' HE2' ' CB ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -108.17 151.51 25.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.584 0.814 . . . . 99.989999999999995 111.042 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -131.08 165.19 23.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.183 . . . . 99.989999999999995 110.238 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.423 HG21 ' CG ' ' A' ' 97' ' ' ARG . 3.0 mt -115.92 152.61 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.277 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -149.88 136.96 19.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.175 . . . . 99.989999999999995 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 47' ' ' PHE . 71.0 mt -114.83 138.4 45.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.401 ' N ' HG22 ' A' ' 46' ' ' ILE . 41.6 m-85 -148.88 147.53 28.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 99.989999999999995 111.077 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -129.47 115.02 16.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 99.989999999999995 109.34 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.461 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -120.74 -176.73 3.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 111.033 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.79 -78.96 0.07 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 111.012 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.9 t -77.84 179.89 6.41 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.281 -1.007 . . . . 99.989999999999995 108.281 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.526 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -127.82 -43.49 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.978 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.501 ' CD1' ' HB3' ' A' ' 189' ' ' TYR . 14.0 m0 -71.45 -34.25 70.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.185 . . . . 99.989999999999995 108.109 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.11 -48.98 7.2 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 111.022 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.569 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 70.9 t -63.13 -51.18 74.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 99.989999999999995 109.249 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.438 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -55.22 -50.43 69.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 110.342 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -69.07 -26.77 65.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.416 1.073 . . . . 99.989999999999995 110.321 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.33 -33.76 74.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.584 1.177 . . . . 99.989999999999995 109.335 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.569 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 16.8 m-85 -68.42 -47.82 66.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 110.994 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.591 ' CD2' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -67.37 -55.85 12.09 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.962 -1.125 . . . . 99.989999999999995 107.962 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.525 ' N ' ' CG ' ' A' ' 60' ' ' TRP . 2.7 mt-30 -48.81 -22.25 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 110.248 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.87 142.64 83.39 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 99.989999999999995 109.299 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 116.94 4.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 99.989999999999995 111.02 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.452 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 122.81 -17.52 8.18 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 111.06 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 59' ' ' PHE . 63.3 t -88.39 125.38 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 0.798 . . . . 99.989999999999995 109.314 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.1 -56.86 4.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 110.932 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.4 p -152.31 166.32 32.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 109.945 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.5 p -144.04 149.68 37.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 99.989999999999995 110.37 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -128.02 138.66 52.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 109.328 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.422 ' HA ' ' CG1' ' A' ' 96' ' ' VAL . . . -97.79 139.1 34.16 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.087 . . . . 99.989999999999995 109.307 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.412 ' CA ' ' O ' ' A' ' 180' ' ' TYR . . . -166.21 -162.97 18.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.961 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.519 ' CZ ' ' HB1' ' A' ' 182' ' ' ALA . 2.5 m-85 -142.78 163.37 32.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 99.989999999999995 111.053 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.0 t -168.71 160.46 10.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 110.397 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.33 -20.25 49.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 111.053 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.528 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -70.7 -178.75 26.75 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 99.989999999999995 110.992 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.476 ' HB2' ' CB ' ' A' ' 14' ' ' ALA . 37.5 m-85 -115.09 -18.6 11.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 99.989999999999995 110.978 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.7 m -74.83 128.57 85.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 99.989999999999995 110.37 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -75.01 119.89 5.84 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.443 1.759 . . . . 99.989999999999995 110.987 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 78' ' ' PRO . 8.6 t-20 40.0 65.6 3.7 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.317 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.561 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.02 176.09 10.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.544 1.813 . . . . 99.989999999999995 111.009 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.432 HG22 ' CE ' ' A' ' 22' ' ' MET . 23.5 m -102.2 159.94 14.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 99.989999999999995 110.34 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -52.82 -48.62 66.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 110.996 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -36.91 75.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 110.311 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -70.6 -41.45 72.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.293 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.56 -46.06 76.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 109.342 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -29.36 68.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.423 1.077 . . . . 99.989999999999995 110.014 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.1 t -71.36 -39.89 70.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 109.998 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.8 12.43 57.97 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 111.044 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -84.29 5.75 25.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 0.762 . . . . 99.989999999999995 109.32 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.3 p -113.38 -25.51 8.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 110.356 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.21 29.55 66.32 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.934 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.561 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 18.6 m-70 -82.99 155.52 23.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 99.989999999999995 109.623 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -112.55 142.31 45.28 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 109.324 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.72 110.81 7.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 110.307 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.03 153.75 51.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.27 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.422 ' CG1' ' HA ' ' A' ' 70' ' ' ALA . 34.8 m -140.03 149.85 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 109.324 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 179' ' ' PHE . 2.1 ttm180 -93.38 145.07 24.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 110.275 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.53 HG12 ' CG ' ' A' ' 59' ' ' PHE . 3.5 mp -135.62 117.81 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.275 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 58.4 t -110.03 106.34 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 99.989999999999995 109.255 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 9.0 p90 -127.08 177.46 6.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 110.964 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.458 ' CB ' ' HE2' ' A' ' 42' ' ' MET . 0.2 OUTLIER -106.57 133.05 20.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 99.989999999999995 109.266 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.55 8.78 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.531 1.806 . . . . 99.989999999999995 111.019 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.6 -26.73 15.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 110.004 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 64.3 t -101.49 -50.23 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.299 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.452 ' CG2' ' HA3' ' A' ' 64' ' ' GLY . 3.7 tt -119.3 143.59 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 109.279 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 p -115.52 155.52 27.37 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 109.973 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 16.0 p90 -63.36 -24.65 67.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 111.009 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.403 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.2 tt0 -65.06 -45.26 86.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 110.294 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -72.65 -39.42 67.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.341 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 16.0 mt -58.98 -52.0 67.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 99.989999999999995 109.358 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.553 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -59.98 -29.18 68.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 109.28 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.4 ' N ' HD23 ' A' ' 111' ' ' LEU . 9.4 mt-30 -72.1 -44.79 62.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.308 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -71.92 -34.21 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.268 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -61.98 -42.82 99.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 99.989999999999995 110.974 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.587 ' CZ2' HD22 ' A' ' 153' ' ' LEU . 35.3 m95 -75.02 -14.24 60.58 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.018 -1.104 . . . . 99.989999999999995 108.018 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -86.06 -17.61 34.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 110.334 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.461 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 0.6 OUTLIER -116.76 5.16 13.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 109.274 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.51 175.1 10.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.607 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 36.7 p30 -119.21 157.17 51.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 109.302 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 160.5 39.75 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.496 1.787 . . . . 99.989999999999995 111.013 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.56 126.5 33.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 109.3 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.441 ' HG2' ' CB ' ' A' ' 126' ' ' GLN . 0.5 OUTLIER -114.35 -20.99 10.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 110.336 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.65 -0.04 70.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.955 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.76 -61.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 99.989999999999995 110.978 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -166.95 167.88 14.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 110.294 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.441 ' CB ' ' HG2' ' A' ' 122' ' ' GLN . 8.3 tm0? -132.04 116.45 17.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 110.336 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 126' ' ' GLN . . . 33.62 39.78 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 110.997 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -175.23 173.31 2.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.748 . . . . 99.989999999999995 109.32 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -108.66 97.39 7.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.33 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -64.98 169.06 5.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 99.989999999999995 109.567 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -112.54 137.81 14.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 111.034 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 7.8 p -82.1 -12.77 58.03 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.517 0.775 . . . . 99.989999999999995 110.373 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.29 -35.54 80.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 110.34 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.417 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 29.0 p90 -126.4 125.22 41.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 110.957 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -130.35 163.68 26.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 110.351 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.0 t -83.88 109.45 17.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 109.934 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -144.83 148.71 34.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 99.989999999999995 109.281 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.552 HD13 ' CZ2' ' A' ' 115' ' ' TRP . 66.9 mt -111.08 130.49 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -126.18 71.05 69.74 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 111.023 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.485 ' HD3' ' CG2' ' A' ' 138' ' ' ILE . 18.4 Cg_endo -74.89 167.4 27.15 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.551 1.816 . . . . 99.989999999999995 111.041 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.09 -60.99 1.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 99.989999999999995 109.293 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.465 ' CG2' ' HB2' ' A' ' 145' ' ' GLN . 0.1 OUTLIER -56.22 155.38 13.01 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 110.438 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -35.87 2.87 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 99.989999999999995 110.994 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -65.09 -35.45 81.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.09 . . . . 99.989999999999995 110.306 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.465 ' HB2' ' CG2' ' A' ' 142' ' ' THR . 58.3 tt0 -67.8 -49.26 63.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 99.989999999999995 110.27 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.42 -35.71 63.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 99.989999999999995 109.348 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 151' ' ' ALA . . . -73.44 -43.26 60.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.3 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.65 -46.48 85.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 99.989999999999995 109.323 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.432 ' O ' ' OG ' ' A' ' 152' ' ' SER . . . -55.79 -53.31 58.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 109.325 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -68.25 -29.28 68.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 110.314 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 147' ' ' ALA . . . -61.36 -48.32 81.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.257 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 156' ' ' PHE . 1.8 p -56.72 -44.62 81.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 99.989999999999995 109.96 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.587 HD22 ' CZ2' ' A' ' 115' ' ' TRP . 0.4 OUTLIER -65.88 -37.39 85.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 99.989999999999995 109.3 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -49.37 -46.74 47.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.278 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 159' ' ' ALA . 0.0 OUTLIER -91.43 -52.58 4.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 110.352 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' A' ' 152' ' ' SER . 10.1 t80 -50.21 -51.35 44.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.984 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.524 ' CB ' ' O ' ' A' ' 153' ' ' LEU . 39.4 tt0 -56.51 -44.08 80.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.83 -28.5 63.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 99.989999999999995 109.301 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 155' ' ' ARG . . . -65.67 -48.75 71.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.527 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 2.9 ptm -65.73 -32.03 73.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.994 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.527 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -68.2 -42.02 80.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 109.29 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.26 -19.39 65.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.266 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -82.03 1.87 33.7 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.292 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 3.6 t70 72.21 22.46 3.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 99.989999999999995 109.303 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.19 111.97 24.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.255 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.43 -1.87 39.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 99.989999999999995 109.258 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.62 79.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 110.295 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -49.95 153.27 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 109.595 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.66 140.19 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.331 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 7.1 p -98.23 1.94 47.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 99.989999999999995 110.393 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 78.6 p -92.26 126.61 37.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 110.452 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.02 124.52 45.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 110.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 2.9 mt -95.35 120.82 45.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 99.989999999999995 109.352 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -144.82 164.87 29.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 109.325 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -41.84 161.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.312 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -89.86 86.76 6.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 109.3 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 18.4 p -59.83 160.88 13.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 99.989999999999995 110.342 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 98.71 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.503 1.791 . . . . 99.989999999999995 110.978 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.592 ' CZ ' ' CE1' ' A' ' 181' ' ' TYR . 0.7 OUTLIER -79.0 139.68 38.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 111.019 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . 0.412 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 6.6 m-85 -95.5 123.69 39.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 99.989999999999995 111.072 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . 0.592 ' CE1' ' CZ ' ' A' ' 179' ' ' PHE . 3.7 m-85 -51.42 157.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 111.038 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.519 ' HB1' ' CZ ' ' A' ' 72' ' ' TYR . . . -110.48 167.72 10.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.345 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.563 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 11.7 tp10 -40.02 146.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 110.271 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -64.75 -24.46 67.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.324 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.31 -39.0 68.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 99.989999999999995 109.344 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 43.6 m-70 -71.88 -44.21 64.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 109.571 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -57.29 125.61 23.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 110.281 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.575 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 4.1 mp0 54.7 47.23 22.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 110.288 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.501 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 12.2 t80 -85.15 -24.84 27.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 111.058 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.08 -46.27 35.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.356 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.515 ' CG ' ' CG2' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -58.75 -28.98 66.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.557 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -70.41 -31.71 69.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.244 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.7 OUTLIER -136.49 103.67 9.4 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 109.279 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -12.17 21.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 99.989999999999995 110.98 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -97.55 18.33 15.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 110.961 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -108.91 41.98 2.08 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 110.968 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . 0.498 ' O ' ' CG ' ' A' ' 197' ' ' TYR . 1.7 p90 -51.34 129.58 25.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 0.784 . . . . 99.989999999999995 111.009 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -58.04 3.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 108.314 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 109.15 96.39 2.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 111.032 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -150.06 170.65 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.502 0.766 . . . . 99.989999999999995 109.234 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 90.38 -12.5 67.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 111.055 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 117.06 101.48 2.18 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.012 -0.835 . . . . 99.989999999999995 111.012 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . 0.433 ' C ' ' CD1' ' A' ' 203' ' ' ILE . 1.4 pp -92.13 166.18 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.512 0.772 . . . . 99.989999999999995 109.29 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -74.0 -89.46 0.18 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.982 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 19.1 m -133.71 138.2 51.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 99.989999999999995 109.319 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 97.7 p -158.26 138.81 12.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 109.982 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 27.3 mt -82.33 152.51 67.68 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 109.244 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 155.51 42.69 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.514 1.797 . . . . 99.989999999999995 111.005 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 178.48 7.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 99.989999999999995 110.973 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.67 -56.36 22.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 99.989999999999995 110.294 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.318 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.021 -0.363 . . . . 99.989999999999995 110.021 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -79.72 -59.0 2.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 109.254 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.473 ' CZ ' ' OD1' ' A' ' 89' ' ' ASP . 11.1 p90 -57.75 165.43 1.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 111.015 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -144.4 99.29 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.27 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -105.16 131.81 52.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.582 1.176 . . . . 99.989999999999995 109.325 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -82.43 64.94 7.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 99.989999999999995 109.318 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.62 160.41 43.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 109.627 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.0 tp -53.12 128.84 29.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.309 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.7 p -104.41 150.79 7.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.357 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.95 166.44 16.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.945 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.462 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.01 -30.57 7.0 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.511 1.795 . . . . 99.989999999999995 110.93 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.08 -26.22 60.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 109.276 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.37 -38.86 13.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.229 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.49 113.15 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 109.281 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.37 156.74 38.39 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.291 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 99.74 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.523 1.801 . . . . 99.989999999999995 110.984 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.29 -91.77 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 111.042 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -102.18 156.12 17.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 99.989999999999995 110.247 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -95.05 -36.0 11.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 99.989999999999995 109.361 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 2.1 t -95.2 135.14 23.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.482 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.477 ' N ' HD21 ' A' ' 79' ' ' ASN . 18.1 Cg_endo -75.0 155.2 42.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.774 . . . . 99.989999999999995 110.99 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.2 ptp -81.77 138.46 46.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 111.001 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.37 35.14 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.566 1.824 . . . . 99.989999999999995 111.018 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.441 HG22 ' CB ' ' A' ' 181' ' ' TYR . 25.6 t -130.49 146.02 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.25 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.76 150.0 4.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.302 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.469 ' CG2' HD13 ' A' ' 27' ' ' LEU . 3.5 m -81.21 -41.6 22.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.419 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.469 HD13 ' CG2' ' A' ' 26' ' ' THR . 0.2 OUTLIER -108.21 133.6 52.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.431 1.082 . . . . 99.989999999999995 109.367 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.545 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 20.6 t-80 -45.54 157.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 109.601 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.5 ' CB ' ' OE1' ' A' ' 188' ' ' GLN . . . -84.8 -26.53 27.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 109.296 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.585 HG11 ' CE2' ' A' ' 60' ' ' TRP . 51.8 t -95.67 -67.77 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 109.312 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -55.18 -39.42 69.54 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.399 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.56 19.35 76.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 110.987 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.562 ' CG ' ' N ' ' A' ' 34' ' ' SER . 18.6 t60 -126.25 169.86 12.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 99.989999999999995 109.658 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.562 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 16.7 m -38.86 138.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 110.051 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.12 -50.57 4.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 111.021 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.9 t -67.45 -50.05 60.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 110.431 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.412 ' HB3' ' CB ' ' A' ' 34' ' ' SER . 6.4 t30 -54.84 143.43 25.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 99.989999999999995 109.251 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 42' ' ' MET . 54.4 t -126.32 140.99 38.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.316 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.91 144.86 31.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.491 1.784 . . . . 99.989999999999995 111.075 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.23 120.33 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.09 . . . . 99.989999999999995 109.267 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.55 8.58 52.1 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.445 1.091 . . . . 99.989999999999995 111.054 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.479 ' SD ' ' CA ' ' A' ' 101' ' ' ASP . 1.8 tpp -105.13 159.52 15.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 99.989999999999995 111.004 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.23 166.22 23.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 110.324 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.471 ' CG2' ' HG3' ' A' ' 97' ' ' ARG . 3.3 mt -111.82 154.73 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.295 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.483 ' HB2' ' CE2' ' A' ' 100' ' ' TYR . . . -145.78 129.9 17.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.279 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 55.7 mt -107.78 131.91 56.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.31 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -141.74 147.99 38.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 99.989999999999995 111.005 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -124.87 118.47 26.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.391 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.66 179.14 6.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.408 1.068 . . . . 99.989999999999995 111.044 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -56.53 -98.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.105 . . . . 99.989999999999995 111.008 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 1.151 ' SG ' ' SG ' ' A' ' 198' ' ' CYS . 6.2 p -73.7 89.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.308 -0.997 . . . . 99.989999999999995 108.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.447 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 37.8 p90 -58.37 -18.86 30.93 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 111.008 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.734 ' CH2' ' CD1' ' A' ' 189' ' ' TYR . 0.9 OUTLIER -67.78 -48.42 66.38 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.95 -1.13 . . . . 99.989999999999995 107.95 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -74.72 -40.72 36.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 111.031 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.564 HG12 ' CE2' ' A' ' 59' ' ' PHE . 86.7 t -61.98 -57.1 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 0.743 . . . . 99.989999999999995 109.36 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -40.84 50.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 110.373 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.477 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 32.9 ttt180 -74.13 -29.63 61.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 110.344 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -38.39 61.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 99.989999999999995 109.271 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.564 ' CE2' HG12 ' A' ' 55' ' ' VAL . 2.0 m-85 -58.17 -52.2 66.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 99.989999999999995 111.021 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.589 ' CE2' ' HG2' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -69.07 -52.0 32.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 108.014 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.589 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 10.6 mm-40 -49.24 -22.12 0.97 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 110.309 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.46 ' CD1' ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -72.38 139.45 81.5 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 109.316 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.46 ' HD2' ' CD1' ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.0 114.64 4.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 99.989999999999995 110.992 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.461 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 126.58 -10.59 7.17 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.514 1.133 . . . . 99.989999999999995 110.97 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.454 ' CG1' ' HA ' ' A' ' 60' ' ' TRP . 38.1 t -94.63 127.56 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 99.989999999999995 109.301 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -79.86 -56.71 4.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 110.964 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.7 p -152.23 165.01 36.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 99.989999999999995 110.009 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 81.4 p -136.89 170.53 15.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.426 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.22 131.89 10.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 109.312 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -97.02 139.33 33.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.266 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -170.91 -160.36 19.22 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 111.008 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -140.89 164.74 29.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 0.786 . . . . 99.989999999999995 110.985 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.1 t -166.6 164.72 16.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 110.396 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.37 -19.68 51.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.11 . . . . 99.989999999999995 111.035 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.523 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -77.25 178.4 51.56 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.03 -0.828 . . . . 99.989999999999995 111.03 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.462 ' CD1' ' HB3' ' A' ' 11' ' ' PRO . 34.0 m-85 -114.56 -18.62 11.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.789 . . . . 99.989999999999995 111.015 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.426 ' CG2' ' OE2' ' A' ' 84' ' ' GLU . 18.8 m -74.41 122.18 86.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.423 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 151.35 39.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 99.989999999999995 111.041 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.477 HD21 ' N ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER 40.58 63.3 5.61 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.326 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 17.9 Cg_endo -75.08 153.88 41.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 99.989999999999995 110.929 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 57.6 p -114.13 154.15 28.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 110.325 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -49.93 -41.61 46.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 110.981 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -65.65 -32.31 73.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.242 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.469 ' HG2' ' CG2' ' A' ' 90' ' ' THR . 4.7 tt0 -66.81 -45.35 78.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 110.297 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 39.7 t -54.73 -45.77 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 109.299 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -26.95 68.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.989 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 p -67.45 -40.01 85.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 109.993 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.09 10.62 85.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 111.036 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.473 ' OD1' ' CZ ' ' A' ' 3' ' ' PHE . 0.5 OUTLIER -97.3 9.84 41.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 99.989999999999995 109.303 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.469 ' CG2' ' HG2' ' A' ' 84' ' ' GLU . 2.8 p -107.33 -24.35 11.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 110.369 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.0 14.43 70.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 111.012 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.523 ' CG ' ' HA3' ' A' ' 75' ' ' GLY . 30.4 m-70 -79.19 158.23 27.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 99.989999999999995 109.663 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -121.24 161.7 21.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 99.989999999999995 109.344 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -82.87 112.85 20.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 99.989999999999995 110.328 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.79 166.01 20.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 109.365 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.3 t -146.68 139.28 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.28 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 179' ' ' PHE . 18.3 ttm180 -97.56 141.65 30.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 110.285 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.524 HG12 ' CG ' ' A' ' 59' ' ' PHE . 4.6 mp -136.11 134.12 50.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.3 t -120.01 104.05 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 99.989999999999995 109.332 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.613 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 4.6 p90 -126.16 177.72 6.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.99 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.479 ' CA ' ' SD ' ' A' ' 42' ' ' MET . 0.6 OUTLIER -106.88 132.66 20.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 109.339 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -4.9 16.09 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.575 1.829 . . . . 99.989999999999995 110.98 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.88 -17.26 20.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 110.065 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.1 t -106.24 -47.04 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.278 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.461 ' CG2' ' HA3' ' A' ' 64' ' ' GLY . 0.0 OUTLIER -116.87 152.13 18.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.321 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.44 ' N ' HG12 ' A' ' 105' ' ' ILE . 60.6 p -116.71 160.76 20.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 99.989999999999995 110.05 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.476 ' CG ' ' HG3' ' A' ' 145' ' ' GLN . 5.7 m-85 -70.62 -31.21 68.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 111.086 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 109' ' ' GLN . 9.0 pt-20 -63.06 -41.53 99.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 110.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.434 ' HG3' ' N ' ' A' ' 110' ' ' LEU . 3.2 pt20 -75.95 -34.92 59.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.344 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.613 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 13.1 mt -60.86 -48.74 80.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.17 . . . . 99.989999999999995 109.283 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.515 ' HB3' ' CE2' ' A' ' 115' ' ' TRP . 5.7 mt -68.4 -33.4 74.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 109.356 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.566 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 0.4 OUTLIER -53.8 -49.87 67.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 110.257 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 3.1 t -73.18 -33.33 41.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 109.299 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 118' ' ' HIS . 9.8 t80 -58.74 -49.08 78.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 111.028 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 152' ' ' SER . 3.2 m0 -62.71 -20.91 65.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 108.009 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -80.24 -36.41 34.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 110.321 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.53 -3.19 47.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.298 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.487 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 24.6 t-80 -77.37 165.18 24.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 109.562 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.487 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 12.9 t70 -107.91 143.92 28.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 99.989999999999995 109.35 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 160.06 40.74 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.429 1.752 . . . . 99.989999999999995 111.008 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.89 127.02 33.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 109.282 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -110.03 -23.92 11.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 110.277 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.11 29.79 56.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.995 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -39.69 156.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 0.778 . . . . 99.989999999999995 110.997 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -114.47 178.4 4.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.382 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.34 136.36 36.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 110.269 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 99.26 67.18 0.86 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 111.03 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -172.94 -170.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 0.718 . . . . 99.989999999999995 109.298 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -50.51 116.57 1.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 99.989999999999995 109.296 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -64.92 139.79 58.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.405 1.066 . . . . 99.989999999999995 109.632 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -156.55 30.24 0.56 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 110.974 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 10.2 p -84.86 -0.68 54.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 0.732 . . . . 99.989999999999995 110.424 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -79.5 -44.22 21.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.598 1.186 . . . . 99.989999999999995 110.327 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.469 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 40.4 p90 -117.62 127.17 53.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 99.989999999999995 111.009 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.13 167.36 20.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 110.277 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.467 ' CB ' ' CD2' ' A' ' 118' ' ' HIS . 17.7 p -94.53 98.74 11.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.055 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -129.93 160.06 34.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 99.989999999999995 109.363 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 42.0 mt -126.86 131.0 71.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.422 1.077 . . . . 99.989999999999995 109.298 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.537 ' N ' ' CD1' ' A' ' 139' ' ' TYR . 3.5 m-85 -128.35 77.96 76.31 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 111.01 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 166.68 28.72 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.786 . . . . 99.989999999999995 111.029 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.452 ' CD2' ' HB1' ' A' ' 176' ' ' ALA . 0.1 OUTLIER -110.63 -59.09 2.0 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.338 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 66.4 p -62.22 160.92 28.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 110.388 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -34.75 3.53 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.504 1.792 . . . . 99.989999999999995 111.022 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -68.06 -49.85 58.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 99.989999999999995 110.346 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.476 ' HG3' ' CG ' ' A' ' 107' ' ' TYR . 12.9 tt0 -55.4 -39.7 70.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 110.35 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -54.09 46.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.09 . . . . 99.989999999999995 109.331 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 151' ' ' ALA . . . -60.91 -31.79 71.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 109.333 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.18 -50.56 26.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 99.989999999999995 109.296 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.55 -57.08 13.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 99.989999999999995 109.277 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.479 ' CG ' ' HA ' ' A' ' 147' ' ' ALA . 1.1 ppt_? -60.68 -31.67 70.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 110.302 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 147' ' ' ALA . . . -61.9 -39.27 91.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 109.34 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 4.3 p -72.56 -32.32 65.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 109.978 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 2.7 tt -63.92 -49.08 74.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 109.342 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -69.77 -20.65 63.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.263 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -81.22 -54.39 5.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 99.989999999999995 110.336 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.422 ' CD1' HD12 ' A' ' 169' ' ' ILE . 2.2 t80 -60.14 -39.69 87.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 110.952 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 160' ' ' MET . 0.3 OUTLIER -62.8 -44.28 96.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.328 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.15 -32.54 69.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 109.316 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.9 -48.74 79.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 99.989999999999995 109.321 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.519 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 7.1 ptm -68.1 -32.16 72.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 99.989999999999995 110.952 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.519 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -64.34 -35.73 81.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 109.289 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.38 -23.06 66.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 109.289 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -92.36 12.3 23.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 99.989999999999995 109.306 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 5.2 t0 57.9 34.8 24.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.333 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.73 121.45 39.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 99.989999999999995 109.332 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -88.41 13.02 12.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 109.263 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.51 69.68 9.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 110.273 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -66.41 137.19 56.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.617 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.422 HD12 ' CD1' ' A' ' 156' ' ' PHE . 2.7 mp -73.31 138.43 21.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.334 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 2.1 t -95.49 43.33 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 110.381 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.3 m -80.91 125.54 30.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 99.989999999999995 110.421 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -112.37 136.65 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.252 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 19.9 mt -117.71 123.3 71.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.071 . . . . 99.989999999999995 109.276 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -144.88 163.25 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 99.989999999999995 109.34 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -47.58 163.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.237 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . 0.452 ' HB1' ' CD2' ' A' ' 141' ' ' LEU . . . -84.71 83.43 8.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 99.989999999999995 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 54.5 p -60.67 160.79 17.28 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 110.377 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 93.64 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.468 1.772 . . . . 99.989999999999995 111.007 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -80.48 145.44 31.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.953 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -100.46 125.2 46.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 111.047 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . 0.441 ' CB ' HG22 ' A' ' 24' ' ' VAL . 82.4 m-85 -47.26 172.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 111.015 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -118.11 172.02 7.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.579 1.174 . . . . 99.989999999999995 109.322 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.55 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 4.1 tt0 -43.91 141.65 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 110.311 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -61.42 -23.24 65.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 109.252 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.17 -44.67 71.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.311 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . 0.55 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 43.2 m-70 -76.25 -32.55 58.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 99.989999999999995 109.615 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . 0.645 ' C ' ' HG2' ' A' ' 188' ' ' GLN . 27.7 mm-40 -45.89 111.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.332 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.645 ' HG2' ' C ' ' A' ' 187' ' ' GLN . 5.1 pt20 37.5 60.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 99.989999999999995 110.332 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.734 ' CD1' ' CH2' ' A' ' 53' ' ' TRP . 46.3 t80 -85.48 -24.48 27.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 110.963 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.419 ' CD2' ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -63.26 -46.59 86.13 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.297 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.53 ' CG ' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -58.91 -28.63 66.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 109.604 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.44 -28.76 59.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 109.294 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.642 ' ND2' ' CE1' ' A' ' 189' ' ' TYR . 7.4 m-80 -127.91 102.49 22.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 109.405 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -1.89 11.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.544 1.812 . . . . 99.989999999999995 111.06 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . 0.575 ' CD2' ' HB3' ' A' ' 193' ' ' ASN . 1.0 OUTLIER -94.96 -8.42 37.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 111.03 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -82.0 91.12 1.49 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 111.001 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.83 149.72 43.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 99.989999999999995 111.012 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . 1.151 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 7.0 t -83.9 -66.0 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 108.321 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 89.95 56.41 1.84 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 111.001 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 30.7 mt -79.35 -62.24 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 0.753 . . . . 99.989999999999995 109.279 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 57.46 167.17 0.1 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.99 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -138.89 150.37 21.15 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 111.043 -0.823 . . . . 99.989999999999995 111.043 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 2.5 tt -86.87 142.3 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 99.989999999999995 109.303 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -99.92 -73.3 1.06 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.445 1.091 . . . . 99.989999999999995 110.92 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 10.8 m -92.05 131.65 38.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.753 . . . . 99.989999999999995 109.254 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 64.6 p -121.26 174.78 6.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.943 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 33.0 mt -70.21 157.05 90.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.316 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 169.63 22.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.465 1.771 . . . . 99.989999999999995 110.999 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 178.16 7.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 99.989999999999995 110.961 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -153.89 133.6 12.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 110.294 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.288 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.03 -0.359 . . . . 99.989999999999995 110.03 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.73 158.46 28.28 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.585 1.178 . . . . 99.989999999999995 109.287 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -82.33 134.59 35.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 110.997 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.08 130.37 48.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 109.261 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -77.13 156.96 31.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 99.989999999999995 109.288 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.66 167.29 10.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 99.989999999999995 109.298 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.431 ' CD2' ' H ' ' A' ' 7' ' ' HIS . 0.3 OUTLIER -71.52 129.77 39.58 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 109.606 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.526 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -154.79 -179.78 8.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.288 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.418 ' CG2' ' HB3' ' A' ' 13' ' ' ASP . 7.7 p -53.54 144.78 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 109.305 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.94 168.88 6.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 110.003 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -33.72 4.33 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 99.989999999999995 111.02 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.13 -26.22 68.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 109.303 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.418 ' HB3' ' CG2' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -95.41 -35.82 11.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.294 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.53 145.79 17.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 99.989999999999995 109.338 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -99.76 153.48 37.75 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 99.989999999999995 109.276 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.22 2.67 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.516 1.798 . . . . 99.989999999999995 110.977 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.18 -167.64 0.14 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.439 1.087 . . . . 99.989999999999995 110.993 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.55 166.26 18.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 0.738 . . . . 99.989999999999995 110.296 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -95.29 31.27 1.98 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 109.256 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.0 m -120.82 99.34 47.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 110.398 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 151.83 39.84 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.501 1.79 . . . . 99.989999999999995 111.043 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 10.6 tpp -70.98 133.95 85.8 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 110.975 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 130.81 13.66 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.473 1.775 . . . . 99.989999999999995 110.999 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 181' ' ' TYR . 21.4 t -129.79 140.37 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 109.305 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.15 163.45 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.327 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 m -76.94 -31.28 56.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.399 1.062 . . . . 99.989999999999995 110.372 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.42 ' CB ' ' C ' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -136.85 154.12 50.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 99.989999999999995 109.287 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.576 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 11.8 t-80 -50.41 157.03 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.174 . . . . 99.989999999999995 109.592 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.505 ' CB ' ' OE1' ' A' ' 188' ' ' GLN . . . -85.52 -31.34 22.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 109.297 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.697 HG11 ' CE2' ' A' ' 60' ' ' TRP . 31.8 t -84.76 -69.25 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 109.347 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 66' ' ' TYR . 2.1 t-20 -55.19 -40.35 70.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 109.304 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.27 23.04 66.57 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.995 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.555 ' CD2' ' O ' ' A' ' 34' ' ' SER . 5.3 t60 -129.68 162.09 29.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.733 . . . . 99.989999999999995 109.646 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.555 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 48.9 m -47.59 139.97 6.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 110.033 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.5 mtp -98.31 -65.15 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 110.966 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.2 t -49.99 -22.69 1.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 110.334 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.415 ' HB2' ' CB ' ' A' ' 34' ' ' SER . 20.0 m-20 -75.67 129.99 38.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.252 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.6 t -130.63 105.28 15.7 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 99.989999999999995 109.239 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 143.82 29.46 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.437 1.756 . . . . 99.989999999999995 111.026 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.81 133.12 47.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.318 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.54 -7.37 32.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.934 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.403 ' HE2' ' CD1' ' A' ' 66' ' ' TYR . 4.0 mtt -115.04 164.72 13.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 99.989999999999995 110.951 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.18 167.74 20.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 99.989999999999995 110.297 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mp -118.77 147.85 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.277 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -125.36 128.89 48.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.619 1.199 . . . . 99.989999999999995 109.288 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.1 mt -122.72 123.98 69.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 99.989999999999995 109.303 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.456 ' CZ ' ' CG1' ' A' ' 55' ' ' VAL . 1.5 p90 -156.96 161.92 39.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 110.976 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.79 140.77 52.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 109.321 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.4 165.9 27.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 110.956 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -36.84 -72.29 0.16 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 110.973 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.64 -179.31 6.37 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.257 -1.016 . . . . 99.989999999999995 108.257 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.462 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 2.6 p90 -145.8 -44.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 111.015 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.747 ' CZ3' ' CE1' ' A' ' 189' ' ' TYR . 17.0 m0 -67.58 -43.29 80.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 108.02 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.72 -37.7 25.83 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.99 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.456 ' CG1' ' CZ ' ' A' ' 47' ' ' PHE . 39.2 t -52.36 -57.12 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.445 0.733 . . . . 99.989999999999995 109.281 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 14.7 pt-20 -63.44 -41.37 98.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 110.323 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.407 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 2.0 tmm_? -61.42 -34.69 75.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 110.313 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.36 -20.23 59.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 99.989999999999995 109.311 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.548 ' CD2' HG12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -78.76 -59.71 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 111.025 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.697 ' CE2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -56.21 -51.43 68.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 108.022 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.583 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 1.6 mm-40 -48.57 -22.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 110.282 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.404 ' N ' ' C ' ' A' ' 60' ' ' TRP . 0.3 OUTLIER -76.63 137.75 66.9 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 99.989999999999995 109.312 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 111.68 3.38 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.578 1.831 . . . . 99.989999999999995 111.043 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.15 -10.43 5.36 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.14 . . . . 99.989999999999995 110.987 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 74.6 t -95.26 134.92 30.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 0.748 . . . . 99.989999999999995 109.363 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.456 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.5 OUTLIER -85.22 -57.38 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 111.044 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.0 m -150.94 166.89 29.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 99.989999999999995 109.914 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.466 ' H ' ' CD2' ' A' ' 28' ' ' HIS . 30.7 p -140.32 136.69 33.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 99.989999999999995 110.431 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.455 ' HB2' ' CG ' ' A' ' 97' ' ' ARG . . . -121.96 144.01 49.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.279 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -111.1 139.97 46.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 99.989999999999995 109.28 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 95' ' ' ALA . . . -172.13 -155.94 11.71 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.577 1.173 . . . . 99.989999999999995 111.011 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.49 ' CD1' ' HG2' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -147.07 168.02 22.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 0.747 . . . . 99.989999999999995 110.968 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.9 t -173.17 168.63 4.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 110.457 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.63 -19.62 51.65 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 111.038 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.571 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -76.18 -171.79 32.86 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.028 -0.829 . . . . 99.989999999999995 111.028 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -115.13 -28.96 6.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 99.989999999999995 110.973 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.438 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 6.7 m -74.64 120.81 83.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.392 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 143.76 29.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.541 1.811 . . . . 99.989999999999995 110.959 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.435 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 34.2 m120 47.52 63.39 10.28 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 109.322 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.567 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.03 170.21 20.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.529 1.805 . . . . 99.989999999999995 111.005 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.405 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 56.9 m -117.2 163.0 16.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.375 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.632 ' CE1' ' CE1' ' A' ' 186' ' ' HIS . 36.8 t80 -61.96 -46.86 87.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 110.996 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -35.57 79.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 110.323 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -69.26 -45.23 70.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 110.296 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 81' ' ' THR . 72.6 t -57.99 -43.04 84.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 99.989999999999995 109.354 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.95 -32.2 65.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.997 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.21 -39.95 73.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 109.938 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.43 6.86 70.2 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 110.986 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.24 -0.61 46.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 99.989999999999995 109.283 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.1 p -89.1 -23.65 22.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 110.399 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.405 ' CA ' HG11 ' A' ' 9' ' ' VAL . . . 67.35 11.0 58.57 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.103 . . . . 99.989999999999995 111.001 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.571 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 48.4 m-70 -85.81 147.5 26.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 99.989999999999995 109.642 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -116.2 153.16 32.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.355 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -69.95 111.44 5.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 110.301 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 71' ' ' GLY . . . -131.88 156.68 45.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 99.989999999999995 109.354 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.8 m -143.92 140.13 25.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.348 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.475 ' CD ' ' CD1' ' A' ' 179' ' ' PHE . 10.4 ptm180 -109.55 124.65 51.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 110.323 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.548 HG12 ' CD2' ' A' ' 59' ' ' PHE . 3.3 mp -116.28 134.44 59.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 109.363 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 61.3 t -108.59 106.13 20.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.299 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -121.83 178.79 4.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 111.028 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.84 125.94 31.95 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 99.989999999999995 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -3.72 14.34 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 99.989999999999995 110.991 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.12 -21.51 17.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.009 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.0 t -104.59 -33.24 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.348 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.526 ' CD1' ' O ' ' A' ' 106' ' ' SER . 0.2 OUTLIER -145.5 131.91 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.157 . . . . 99.989999999999995 109.272 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.526 ' O ' ' CD1' ' A' ' 105' ' ' ILE . 9.9 p -92.21 161.37 14.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 110.045 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.625 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 2.3 p90 -68.8 -32.99 73.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.961 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.625 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -57.0 -47.62 80.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 110.308 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -59.84 -32.55 70.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 110.301 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.6 mt -73.98 -31.55 63.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 99.989999999999995 109.3 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.69 -49.86 74.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 99.989999999999995 109.274 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.487 ' HG3' ' N ' ' A' ' 113' ' ' VAL . 0.1 OUTLIER -64.01 -34.2 77.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.307 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.487 ' N ' ' HG3' ' A' ' 112' ' ' GLN . 2.2 t -61.44 -52.4 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.339 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 118' ' ' HIS . 16.1 m-30 -55.61 -48.73 74.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.972 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.522 ' HB3' ' CE1' ' A' ' 156' ' ' PHE . 63.5 m95 -64.26 -15.49 60.23 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.959 -1.126 . . . . 99.989999999999995 107.959 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.14 -32.5 17.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.33 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -98.76 0.05 43.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.296 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -77.74 164.43 25.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 109.614 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.527 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 0.2 OUTLIER -113.44 152.53 45.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 160.77 39.58 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.531 1.806 . . . . 99.989999999999995 111.027 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.62 133.42 34.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.271 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -111.93 -24.97 9.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 110.262 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 124' ' ' MET . . . 83.73 30.47 29.41 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 111.044 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 123' ' ' GLY . 0.3 OUTLIER -34.13 -60.17 0.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 0.726 . . . . 99.989999999999995 110.913 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.67 159.87 19.33 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 110.357 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.99 118.02 20.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 99.989999999999995 110.348 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 39.7 65.0 0.94 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.1 . . . . 99.989999999999995 110.998 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -142.36 -59.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 99.989999999999995 109.312 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -159.1 98.07 1.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.352 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -148.28 106.25 3.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 109.581 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -131.41 36.32 2.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.456 1.098 . . . . 99.989999999999995 111.006 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.602 ' O ' ' CE1' ' A' ' 134' ' ' TYR . 7.1 p -79.79 -12.11 59.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 0.809 . . . . 99.989999999999995 110.47 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 60.96 35.27 19.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 99.989999999999995 110.301 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 132' ' ' THR . 8.3 m-85 -128.96 126.24 39.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 99.989999999999995 111.02 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -145.42 108.86 4.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.616 1.197 . . . . 99.989999999999995 110.302 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.65 98.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 99.989999999999995 110.032 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -135.91 164.42 28.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 99.989999999999995 109.372 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 81.3 mt -124.01 135.09 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.297 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -130.42 77.38 76.12 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 111.017 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.472 ' O ' ' CB ' ' A' ' 176' ' ' ALA . 18.2 Cg_endo -74.91 168.14 25.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.557 1.819 . . . . 99.989999999999995 111.015 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -101.18 -46.1 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 109.338 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.406 HG21 ' NE2' ' A' ' 145' ' ' GLN . 4.9 p -87.96 161.26 44.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.391 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -35.33 3.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 99.989999999999995 110.979 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.41 -36.32 71.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 99.989999999999995 110.278 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.515 ' HG2' ' CG ' ' A' ' 107' ' ' TYR . 34.3 mt-30 -73.84 -39.7 63.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 99.989999999999995 110.33 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.59 -42.91 77.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.407 1.067 . . . . 99.989999999999995 109.26 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -68.22 -34.8 76.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 99.989999999999995 109.294 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -75.62 -41.25 54.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.393 1.058 . . . . 99.989999999999995 109.331 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.8 -59.2 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 99.989999999999995 109.259 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.493 ' HG3' ' N ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -55.86 -27.09 50.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 110.314 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.493 ' N ' ' HG3' ' A' ' 150' ' ' ARG . . . -70.59 -45.54 65.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 99.989999999999995 109.27 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 79.8 p -69.44 -43.3 73.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 110.037 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.457 ' C ' ' CD2' ' A' ' 153' ' ' LEU . 3.9 tt -59.12 -51.07 71.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 99.989999999999995 109.327 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -60.06 -20.87 60.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 99.989999999999995 110.282 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.95 -58.61 2.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 110.226 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 115' ' ' TRP . 4.5 t80 -53.19 -38.09 62.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 99.989999999999995 110.999 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 160' ' ' MET . 5.3 tt0 -64.11 -48.42 76.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 99.989999999999995 110.286 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.6 -30.27 65.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 99.989999999999995 109.315 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.27 -48.25 78.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 109.28 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' MET . . . . . 0.589 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 6.9 ptm -67.16 -31.03 71.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 99.989999999999995 110.937 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.589 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -65.75 -35.79 81.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.348 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.03 -18.03 63.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 109.263 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -77.56 -4.1 44.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.341 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.1 t70 79.38 32.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.324 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -109.14 123.98 50.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 109.292 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 168' ' ' HIS . 0.3 OUTLIER -77.32 -38.54 50.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 109.343 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.16 82.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 99.989999999999995 110.305 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 166' ' ' ASP . 4.6 p-80 -73.41 147.68 44.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.568 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.29 127.06 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 20.8 m -91.06 49.67 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 99.989999999999995 110.454 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 95.0 m -85.71 132.17 34.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 110.357 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -122.07 140.92 51.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 110.238 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 13.5 mt -114.17 122.33 68.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 109.32 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -129.7 166.51 19.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 109.328 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -53.38 165.1 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 109.285 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 140' ' ' PRO . . . -81.46 84.9 6.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.307 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 18.4 p -65.32 164.82 21.02 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 110.394 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 115.89 4.42 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.539 1.81 . . . . 99.989999999999995 110.973 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.566 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -77.88 143.18 37.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 110.996 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -119.38 107.56 13.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 99.989999999999995 110.954 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . 0.546 ' HA ' ' CZ ' ' A' ' 179' ' ' PHE . 28.9 m-85 -38.14 157.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 110.964 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 183' ' ' GLU . . . -118.6 174.9 5.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.303 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.551 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 1.4 tp10 -37.76 130.93 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 99.989999999999995 110.311 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -52.94 -23.28 6.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 109.351 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.85 -43.64 83.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 109.314 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . 0.632 ' CE1' ' CE1' ' A' ' 82' ' ' TYR . 89.3 m-70 -62.52 -33.51 75.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.633 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -52.74 110.59 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 99.989999999999995 110.302 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.505 ' OE1' ' CB ' ' A' ' 29' ' ' ALA . 3.4 mp0 50.24 58.91 4.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 110.318 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.747 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 7.0 t80 -85.45 -25.66 26.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 111.023 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.43 -46.79 25.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 99.989999999999995 109.32 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -31.66 65.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 109.589 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -65.98 -35.67 81.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 109.295 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.4 OUTLIER -140.08 105.33 6.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 99.989999999999995 109.277 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -4.38 15.33 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.555 1.818 . . . . 99.989999999999995 111.003 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -98.04 27.45 4.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.591 1.182 . . . . 99.989999999999995 111.003 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -120.66 45.12 1.27 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 110.978 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -63.83 132.4 50.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 0.722 . . . . 99.989999999999995 111.037 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 2.8 m -74.11 -68.52 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 108.335 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 139.76 114.16 1.15 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 110.993 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 78.1 mt -136.5 -49.83 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 99.989999999999995 109.276 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -79.09 74.79 2.14 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.588 1.18 . . . . 99.989999999999995 111.041 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 42.7 86.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.023 -0.831 . . . . 99.989999999999995 111.023 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 16.5 tt -86.37 142.01 13.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.603 0.825 . . . . 99.989999999999995 109.34 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -72.34 -94.21 0.09 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.13 . . . . 99.989999999999995 111.044 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 74.2 t -129.9 -64.77 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.57 0.806 . . . . 99.989999999999995 109.318 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.13 154.45 25.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 99.989999999999995 110.01 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 8.0 mt -78.07 130.64 71.93 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 99.989999999999995 109.3 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 114.6 4.06 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.541 1.811 . . . . 99.989999999999995 111.047 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 178.56 7.09 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.454 1.765 . . . . 99.989999999999995 110.999 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -120.57 149.46 42.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 99.989999999999995 110.251 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 99.989999999999995 109.3 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.995 -0.372 . . . . 99.989999999999995 109.995 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.9 104.33 8.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 109.31 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -157.01 142.64 17.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 111.006 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -159.18 126.96 4.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 99.989999999999995 109.255 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -146.24 97.09 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 109.305 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.22 115.46 6.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 109.264 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.43 134.15 18.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 109.617 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 tp -70.16 123.85 22.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 109.222 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.7 p -100.06 147.88 7.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.259 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.52 170.07 17.9 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 99.989999999999995 110.038 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.559 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.94 -39.09 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 99.989999999999995 111.028 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.67 -32.76 58.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 109.235 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.01 -39.41 79.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 109.307 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.21 102.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.31 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.49 153.28 38.05 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 109.32 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 105.89 2.17 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.511 1.795 . . . . 99.989999999999995 110.99 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.21 -37.79 31.25 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.436 1.085 . . . . 99.989999999999995 111.003 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.94 149.67 43.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 99.989999999999995 110.27 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -108.08 -32.73 7.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 109.338 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.0 p -95.23 144.72 28.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.095 . . . . 99.989999999999995 110.364 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 150.37 38.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 99.989999999999995 111.02 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -70.61 142.65 89.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 99.989999999999995 110.98 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 140.13 24.94 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 99.989999999999995 111.017 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.461 HG21 ' CB ' ' A' ' 181' ' ' TYR . 85.8 t -134.74 140.5 45.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.339 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.81 164.69 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.319 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 35' ' ' MET . 7.3 m -91.94 -44.52 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 110.437 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.452 ' CD1' ' HA ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -110.6 137.76 47.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.281 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.583 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 17.6 t-80 -52.67 156.53 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 99.989999999999995 109.584 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.474 ' CB ' ' OE1' ' A' ' 188' ' ' GLN . . . -86.1 -24.57 26.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.061 . . . . 99.989999999999995 109.253 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.621 HG13 ' CE2' ' A' ' 60' ' ' TRP . 41.4 t -95.27 -69.27 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.1 . . . . 99.989999999999995 109.283 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 0.5 OUTLIER -56.2 -39.89 73.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.273 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 78.06 18.49 76.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 111.04 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 34' ' ' SER . 0.2 OUTLIER -118.79 171.33 8.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.559 0.799 . . . . 99.989999999999995 109.613 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.452 ' HA ' ' CD1' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -38.73 149.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 109.968 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' THR . 27.1 mmm -98.58 -64.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 99.989999999999995 111.031 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.401 HG21 ' N ' ' A' ' 37' ' ' ASN . 8.2 t -77.84 -32.67 52.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.409 1.068 . . . . 99.989999999999995 110.431 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.434 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.3 OUTLIER -61.85 128.99 38.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 99.989999999999995 109.31 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.417 ' CG1' ' HB3' ' A' ' 42' ' ' MET . 72.0 t -127.54 113.58 21.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 99.989999999999995 109.327 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 139.78 24.85 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.557 1.819 . . . . 99.989999999999995 111.03 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -43.66 128.39 5.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.267 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.33 -10.62 31.05 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.493 1.12 . . . . 99.989999999999995 110.952 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.574 ' HE2' ' CD1' ' A' ' 66' ' ' TYR . 31.7 tpp -104.72 147.35 27.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.762 . . . . 99.989999999999995 111.034 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -128.49 158.98 36.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 99.989999999999995 110.282 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.4 mt -114.63 157.52 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 109.329 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -150.61 135.21 17.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 109.338 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 37.8 mt -103.99 131.65 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 109.293 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 114' ' ' PHE . 30.2 m-85 -143.72 149.53 37.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 111.002 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -132.64 120.25 21.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.164 . . . . 99.989999999999995 109.295 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.596 ' SD ' ' CZ ' ' A' ' 114' ' ' PHE . 0.2 OUTLIER -129.61 -172.25 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 111.03 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -63.34 -70.85 0.95 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.517 1.135 . . . . 99.989999999999995 110.983 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.5 m -63.71 178.22 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.315 -0.994 . . . . 99.989999999999995 108.315 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.484 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -129.04 -63.65 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 99.989999999999995 110.968 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.591 ' CE3' ' CD1' ' A' ' 189' ' ' TYR . 2.0 m0 -73.87 -36.86 64.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 108.021 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.1 -45.57 91.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 99.989999999999995 110.984 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.7 t -54.2 -62.48 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.773 . . . . 99.989999999999995 109.327 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.79 -35.14 77.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 99.989999999999995 110.247 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.516 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 2.3 ttt-85 -65.69 -30.91 71.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 99.989999999999995 110.316 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.99 -20.47 56.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 99.989999999999995 109.306 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.698 ' CZ ' ' CG2' ' A' ' 98' ' ' ILE . 14.8 t80 -83.93 -58.3 2.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 99.989999999999995 111.021 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.621 ' CE2' HG13 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -53.9 -51.46 63.64 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.999 -1.111 . . . . 99.989999999999995 107.999 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.536 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 6.7 mm100 -53.55 -18.41 2.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 99.989999999999995 110.325 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.433 ' HB3' ' O ' ' A' ' 59' ' ' PHE . 7.3 tt -84.61 137.11 38.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 109.286 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.433 ' HD2' ' HG ' ' A' ' 62' ' ' LEU . 18.3 Cg_endo -74.97 107.91 2.59 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.434 1.755 . . . . 99.989999999999995 110.95 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.424 ' HA3' ' HB ' ' A' ' 105' ' ' ILE . . . 141.03 -12.04 2.84 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.601 1.188 . . . . 99.989999999999995 110.989 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.618 HG21 ' CD2' ' A' ' 59' ' ' PHE . 77.2 t -87.38 135.21 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 99.989999999999995 109.272 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.574 ' CD1' ' HE2' ' A' ' 42' ' ' MET . 3.1 t80 -89.31 -46.13 8.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 1.082 . . . . 99.989999999999995 111.014 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.3 p -159.66 168.02 27.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.063 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.459 ' H ' ' CD2' ' A' ' 28' ' ' HIS . 10.6 p -149.0 140.45 23.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 99.989999999999995 110.396 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 97' ' ' ARG . . . -137.27 159.97 40.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 99.989999999999995 109.307 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 182' ' ' ALA . . . -123.09 139.62 53.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 99.989999999999995 109.279 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -162.7 -165.79 20.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.555 1.159 . . . . 99.989999999999995 110.994 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -130.73 159.41 37.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 99.989999999999995 111.001 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.7 t -175.75 165.62 3.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.387 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.31 -17.55 56.73 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 110.954 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.534 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -88.65 -174.38 47.08 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.974 -0.85 . . . . 99.989999999999995 110.974 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.559 ' CD2' ' HA ' ' A' ' 11' ' ' PRO . 14.1 m-85 -113.61 -21.45 10.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 99.989999999999995 110.972 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.443 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 1.4 m -75.3 117.7 65.14 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 99.989999999999995 110.354 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 147.53 33.8 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.526 1.803 . . . . 99.989999999999995 110.999 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.43 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 81.6 m-20 45.56 63.95 8.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 99.989999999999995 109.319 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.2 Cg_endo -74.98 164.16 33.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 99.989999999999995 110.995 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.0 m -113.29 153.33 28.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.422 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -53.86 -43.87 69.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 110.949 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.11 -42.64 75.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.37 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -65.58 -44.23 87.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 99.989999999999995 110.264 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.7 t -59.09 -38.0 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 99.989999999999995 109.339 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.3 p -70.89 -32.08 68.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.069 . . . . 99.989999999999995 110.05 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 73.5 m -62.19 -37.67 86.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 109.992 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.99 12.72 61.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.591 1.182 . . . . 99.989999999999995 110.976 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.52 9.16 35.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 0.751 . . . . 99.989999999999995 109.268 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.3 p -113.17 -25.15 9.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 110.428 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.26 22.39 72.73 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.562 1.164 . . . . 99.989999999999995 110.965 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.534 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 23.6 m-70 -91.17 156.38 17.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 0.761 . . . . 99.989999999999995 109.613 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -115.6 153.54 31.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 99.989999999999995 109.289 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.409 ' OE1' ' O ' ' A' ' 49' ' ' MET . 0.0 OUTLIER -77.6 109.95 12.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 110.284 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -123.32 163.22 21.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 99.989999999999995 109.341 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 19.2 m -140.67 160.4 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.071 . . . . 99.989999999999995 109.285 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 179' ' ' PHE . 24.8 ttp180 -99.63 127.77 45.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.283 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.698 ' CG2' ' CZ ' ' A' ' 59' ' ' PHE . 0.8 OUTLIER -115.65 117.87 56.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.367 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.489 HG13 ' CG ' ' A' ' 42' ' ' MET . 15.4 t -119.97 106.15 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 109.268 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.458 ' CD2' HD13 ' A' ' 110' ' ' LEU . 47.4 p90 -133.68 173.96 10.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 99.989999999999995 110.995 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.465 ' C ' ' H ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -117.23 130.07 24.89 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 99.989999999999995 109.329 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.0 Cg_endo -75.03 18.43 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.788 . . . . 99.989999999999995 110.991 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.465 ' H ' ' C ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -103.96 -29.19 11.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 99.989999999999995 109.997 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 68.8 t -109.56 -30.17 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 109.256 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.495 ' CD1' ' HB2' ' A' ' 109' ' ' GLN . 0.1 OUTLIER -145.65 130.84 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 99.989999999999995 109.306 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.425 ' N ' HD12 ' A' ' 105' ' ' ILE . 1.4 p -86.68 164.32 16.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 110.007 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.616 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 36.0 p90 -71.36 -45.47 62.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 99.989999999999995 111.045 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.616 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 3.4 pt-20 -52.57 -29.36 25.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.07 . . . . 99.989999999999995 110.331 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.495 ' HB2' ' CD1' ' A' ' 105' ' ' ILE . 40.8 mt-30 -71.46 -42.08 68.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 110.316 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.458 HD13 ' CD2' ' A' ' 100' ' ' TYR . 38.2 mt -52.59 -52.89 53.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 109.242 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.6 mt -52.82 -42.14 64.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 109.332 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.75 -49.47 65.42 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.507 1.129 . . . . 99.989999999999995 110.312 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.85 -48.39 64.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 99.989999999999995 109.297 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.596 ' CZ ' ' SD ' ' A' ' 49' ' ' MET . 3.5 t80 -53.94 -48.96 69.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 99.989999999999995 110.978 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . 0.441 ' CE3' ' CE2' ' A' ' 156' ' ' PHE . 42.6 m95 -64.68 -21.83 66.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 108.044 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -83.91 -35.99 23.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 110.321 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -92.85 2.03 56.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 99.989999999999995 109.29 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.58 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -75.53 168.19 20.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 99.989999999999995 109.615 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.58 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 19.2 m-20 -109.91 151.23 42.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 99.989999999999995 109.311 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 158.71 42.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 99.989999999999995 111.007 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -87.08 142.21 28.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 109.295 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -129.58 46.89 2.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 110.366 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 78.44 27.96 56.41 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 111.011 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -47.05 103.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.767 . . . . 99.989999999999995 110.968 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.72 177.11 7.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 99.989999999999995 110.313 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -94.76 134.04 37.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 110.322 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 144.91 -64.2 0.46 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.452 1.095 . . . . 99.989999999999995 110.993 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -150.17 79.87 1.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 99.989999999999995 109.285 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -85.14 173.17 10.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 109.242 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -77.73 -38.3 47.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 99.989999999999995 109.562 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -173.03 103.61 0.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 99.989999999999995 110.99 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 42.5 p -78.44 -22.96 46.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 0.783 . . . . 99.989999999999995 110.446 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -48.49 -37.76 18.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 99.989999999999995 110.27 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' TYR . . . . . 0.489 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 35.2 p90 -121.01 127.78 52.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 99.989999999999995 111.022 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -141.58 150.17 41.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 99.989999999999995 110.212 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.43 92.32 7.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 99.989999999999995 110.041 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.55 ' HB3' ' CE1' ' A' ' 139' ' ' TYR . . . -127.37 159.25 35.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.28 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.433 HG23 ' CE2' ' A' ' 47' ' ' PHE . 14.0 mt -120.57 135.26 61.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 99.989999999999995 109.371 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.55 ' CE1' ' HB3' ' A' ' 137' ' ' ALA . 31.2 m-85 -129.9 77.79 76.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 99.989999999999995 111.034 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 161.9 37.84 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.49 1.784 . . . . 99.989999999999995 110.95 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 10.9 tp -109.51 -54.94 2.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 99.989999999999995 109.312 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.1 p -69.97 161.26 76.45 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 110.411 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -41.0 0.73 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.511 1.795 . . . . 99.989999999999995 111.054 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -61.77 -34.06 75.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.365 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -70.77 -41.82 71.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 110.287 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -40.84 97.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 99.989999999999995 109.349 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.25 -38.72 78.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 109.266 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.43 -45.81 65.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 109.31 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.48 -56.54 19.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 99.989999999999995 109.336 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.21 -31.36 72.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.444 1.09 . . . . 99.989999999999995 110.29 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -64.28 -39.08 93.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 109.281 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 22.1 p -73.94 -36.59 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.02 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 4.6 tt -59.45 -52.4 65.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 109.336 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -57.67 -32.8 67.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 99.989999999999995 110.287 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -35.8 46.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 99.989999999999995 110.304 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.441 ' CE2' ' CE3' ' A' ' 115' ' ' TRP . 22.5 t80 -70.4 -52.22 23.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 99.989999999999995 110.953 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -63.24 -35.71 81.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 99.989999999999995 110.311 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.0 -43.75 82.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 109.303 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.51 -44.75 86.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.586 1.179 . . . . 99.989999999999995 109.353 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 7.1 ttp -60.16 -47.83 84.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 111.049 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.08 -34.97 79.25 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.32 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.77 -18.86 63.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.592 1.183 . . . . 99.989999999999995 109.28 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -83.53 -6.54 59.48 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.401 1.063 . . . . 99.989999999999995 109.308 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 1.1 t70 81.97 30.4 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 99.989999999999995 109.273 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -103.06 122.69 45.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.321 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.36 12.67 15.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.414 1.072 . . . . 99.989999999999995 109.365 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.07 72.7 9.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 110.345 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 134.26 54.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 109.562 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.2 mp -75.08 139.37 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 99.989999999999995 109.297 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 78.9 m -97.59 35.57 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 110.395 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 2.6 t -78.39 132.71 37.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 110.448 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -118.86 140.5 49.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 99.989999999999995 110.286 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 76.4 mt -108.74 122.67 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 109.307 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -134.99 167.11 21.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 99.989999999999995 109.31 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 177' ' ' THR . 9.0 p-10 -60.61 150.6 31.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 99.989999999999995 109.284 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.72 75.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 99.989999999999995 109.308 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 175' ' ' ASN . 0.5 OUTLIER -61.74 160.29 28.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 110.42 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 108.5 2.73 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.471 1.774 . . . . 99.989999999999995 111.004 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 1.3 p90 -93.99 144.68 25.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 111.007 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' TYR . . . . . 0.407 ' O ' ' O ' ' A' ' 181' ' ' TYR . 20.2 m-85 -93.3 119.23 32.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 111.027 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' TYR . . . . . 0.461 ' CB ' HG21 ' A' ' 24' ' ' VAL . 77.8 m-85 -46.68 174.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 99.989999999999995 110.972 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -126.78 170.33 12.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 109.3 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 182' ' ' ALA . 1.9 mm-40 -38.1 132.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 110.328 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -52.86 -22.86 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 99.989999999999995 109.322 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.92 -45.01 87.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 99.989999999999995 109.334 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -60.8 -46.18 91.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 109.525 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.6 115.43 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 110.307 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' GLN . . . . . 0.583 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 4.9 mp0 53.37 54.65 9.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 99.989999999999995 110.329 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' TYR . . . . . 0.591 ' CD1' ' CE3' ' A' ' 53' ' ' TRP . 29.3 t80 -85.48 -28.27 25.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 99.989999999999995 111.014 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.418 ' HB3' ' CD ' ' A' ' 57' ' ' ARG . 0.6 OUTLIER -76.85 -46.47 24.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 99.989999999999995 109.249 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' HIS . . . . . 0.4 ' CD2' ' HB3' ' A' ' 188' ' ' GLN . 0.0 OUTLIER -56.4 -28.68 60.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.113 . . . . 99.989999999999995 109.519 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -40.55 96.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 99.989999999999995 109.249 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -140.39 119.97 8.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 109.266 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.97 8.27 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.414 1.744 . . . . 99.989999999999995 111.012 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -96.95 29.52 3.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 110.965 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -126.11 46.12 1.11 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 111.006 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -75.84 110.09 9.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 99.989999999999995 110.961 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 17.5 p -80.48 142.26 34.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 99.989999999999995 108.273 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -90.92 105.62 3.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 111.003 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 37.5 mt -88.84 135.58 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 0.794 . . . . 99.989999999999995 109.251 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 120.45 -54.0 0.67 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 111.032 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -58.43 -154.86 0.01 OUTLIER Glycine 0 CA--C 1.531 1.058 0 N-CA-C 111.019 -0.832 . . . . 99.989999999999995 111.019 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.3 tt -58.81 -47.11 90.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.656 0.857 . . . . 99.989999999999995 109.3 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 142.14 -136.36 7.22 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 110.948 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 81.4 t -101.8 -25.48 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.756 . . . . 99.989999999999995 109.265 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 19.1 m -80.09 96.59 6.54 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 109.996 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 22.8 mt -96.46 150.39 37.02 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 99.989999999999995 109.346 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 123.64 8.01 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 99.989999999999995 110.941 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 177.4 8.63 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.517 1.798 . . . . 99.989999999999995 110.958 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.11 -51.84 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 99.989999999999995 110.317 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.082 . . . . 99.989999999999995 109.287 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.922 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.66 146.33 93.51 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 134.66 18.05 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.52 1.8 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.81 HG21 ' HB3' ' A' ' 181' ' ' TYR . 13.2 t -131.69 132.78 62.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 156.7 6.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 35' ' ' MET . 55.3 m -81.52 -45.2 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 34' ' ' SER . 0.4 OUTLIER -98.67 138.95 35.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.553 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 22.7 t-80 -55.13 157.51 3.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.588 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.814 ' HB3' ' CD ' ' A' ' 188' ' ' GLN . . . -84.0 -27.36 28.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.963 HG11 ' CD2' ' A' ' 60' ' ' TRP . 54.9 t -95.55 -67.58 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -54.75 -38.99 67.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.9 15.28 81.78 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.85 171.0 8.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 109.574 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.423 ' N ' HD12 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -39.25 140.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.458 ' O ' ' NH2' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -93.51 -51.55 4.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 110.961 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -85.1 -46.31 11.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.395 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.89 126.45 24.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 1.081 HG21 HD11 ' A' ' 44' ' ' ILE . 6.4 t -118.96 117.23 33.8 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 146.26 32.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.57 131.62 43.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.36 1.3 37.97 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.443 ' HB2' HG13 ' A' ' 38' ' ' VAL . 79.2 mmm -114.68 160.66 19.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 0.735 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.6 157.46 46.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 1.081 HD11 HG21 ' A' ' 38' ' ' VAL . 2.3 mp -113.41 156.99 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -154.63 130.87 10.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.7 mt -104.61 138.88 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.493 ' CE2' HG23 ' A' ' 138' ' ' ILE . 34.7 m-85 -153.65 144.17 22.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -125.06 127.64 47.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.42 179.76 5.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.75 -79.99 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.87 178.34 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER -136.38 -49.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.631 ' CZ3' ' CE1' ' A' ' 189' ' ' TYR . 25.0 m0 -72.78 -37.06 67.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 107.999 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.484 ' O ' ' CB ' ' A' ' 58' ' ' LEU . . . -79.19 -28.65 52.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.3 t -73.49 -50.8 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 11.3 pt-20 -55.69 -52.15 64.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -68.76 -23.84 64.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.484 ' CB ' ' O ' ' A' ' 54' ' ' GLY . 2.6 tp -66.39 -28.33 68.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.541 ' CG ' HG12 ' A' ' 98' ' ' ILE . 23.6 m-85 -78.45 -52.26 8.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.963 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -61.88 -55.92 24.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 108.0 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.518 ' N ' ' CG ' ' A' ' 60' ' ' TRP . 2.2 mt-30 -47.99 -23.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.707 HD11 HG21 ' A' ' 113' ' ' VAL . 6.5 tt -77.54 135.81 64.5 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.422 ' N ' HD23 ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.06 106.29 2.25 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.515 1.797 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.435 ' HA2' ' CG1' ' A' ' 104' ' ' VAL . . . 142.02 -17.84 2.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.421 HG11 ' CG2' ' A' ' 68' ' ' THR . 17.0 t -92.52 130.81 41.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 0.777 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 99' ' ' VAL . 1.6 t80 -80.66 -56.86 3.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.9 m -150.41 163.59 37.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.435 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 36.1 p -148.8 167.0 26.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.399 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.11 153.44 32.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.894 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -106.8 140.2 40.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.442 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -167.94 -168.02 29.44 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -132.77 164.82 25.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 0.804 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.52 HG22 ' HB3' ' A' ' 95' ' ' ALA . 1.3 t -170.2 171.17 6.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.457 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.406 ' N ' ' OG1' ' A' ' 73' ' ' THR . . . 94.51 -20.17 49.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.145 . . . . 0.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.5 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -82.39 -177.56 51.96 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -114.56 -22.29 9.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.4 m -74.77 125.37 89.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 154.7 42.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.776 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.404 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 20.7 m-80 45.43 64.82 7.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.5 Cg_endo -74.95 137.75 22.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.538 1.809 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.671 ' O ' HG23 ' A' ' 85' ' ' VAL . 2.3 m -111.68 155.04 24.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -63.35 -28.77 70.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.86 -52.0 28.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -73.8 -44.61 55.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 0.0 110.333 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 81' ' ' THR . 47.2 t -53.5 -37.94 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.361 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.2 t -59.89 -23.81 63.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.7 m -71.85 -39.59 69.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.418 ' HA2' ' NE2' ' A' ' 133' ' ' GLN . . . 92.22 8.89 62.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.29 12.07 14.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.4 p -111.27 -24.54 10.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.07 6.08 63.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.5 ' CG ' ' HA3' ' A' ' 75' ' ' GLY . 31.7 m-70 -73.17 158.25 35.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 109.575 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -127.81 162.08 27.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 15.3 pt-20 -71.59 135.08 46.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.52 ' HB3' HG22 ' A' ' 73' ' ' THR . . . -161.37 150.04 15.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.894 HG12 ' HA ' ' A' ' 70' ' ' ALA . 25.4 m -138.56 155.35 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.458 ' NH2' ' O ' ' A' ' 35' ' ' MET . 50.1 ttp180 -97.49 139.41 33.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.541 HG12 ' CG ' ' A' ' 59' ' ' PHE . 4.6 mp -126.28 119.1 53.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.719 HG22 ' CG1' ' A' ' 44' ' ' ILE . 59.0 t -113.03 99.48 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.751 ' CD1' HG23 ' A' ' 105' ' ' ILE . 39.3 p90 -124.52 177.09 6.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.24 137.86 20.71 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.05 -3.04 13.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.534 1.807 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t -92.92 -19.29 21.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.435 ' CG1' ' HA2' ' A' ' 64' ' ' GLY . 92.2 t -109.67 -46.83 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.751 HG23 ' CD1' ' A' ' 100' ' ' TYR . 1.8 tp -132.83 139.52 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.6 p -107.28 166.25 10.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -59.86 -33.1 71.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -67.93 -42.81 80.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -62.84 -43.55 98.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.534 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 27.0 mt -61.54 -40.89 96.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.2 mt -64.35 -42.81 96.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.62 -47.05 73.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.707 HG21 HD11 ' A' ' 62' ' ' LEU . 2.7 t -66.49 -46.55 86.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -51.98 -52.82 47.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 44.0 m95 -62.82 -23.72 67.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 107.997 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -32.76 59.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -101.65 4.26 40.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -78.47 163.49 25.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.567 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.64 159.57 28.89 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.26 41.59 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.607 ' HB1' ' O ' ' A' ' 168' ' ' HIS . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.418 ' NE2' ' HA2' ' A' ' 88' ' ' GLY . 2.3 tp60 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -109.97 125.38 52.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -150.01 173.05 14.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 77.5 p -100.23 110.42 22.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -133.65 160.33 37.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.493 HG23 ' CE2' ' A' ' 47' ' ' PHE . 5.7 mt -120.87 126.78 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -121.91 82.12 42.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.766 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.3 Cg_endo -75.0 167.49 26.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.641 HD22 ' C ' ' A' ' 140' ' ' PRO . 2.7 mm? -115.7 -46.91 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.44 HG23 ' OE1' ' A' ' 145' ' ' GLN . 4.1 p -91.82 161.78 32.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.426 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -35.13 3.31 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -55.42 -51.19 67.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.44 ' OE1' HG23 ' A' ' 142' ' ' THR . 9.9 pt20 -70.57 -36.3 73.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.64 -48.07 75.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -72.74 -36.69 67.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' A' ' 145' ' ' GLN . . . -61.65 -48.88 78.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.36 -50.25 72.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -37.09 85.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.08 -43.51 78.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 18.4 p -70.93 -40.35 72.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.026 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.748 HD23 ' C ' ' A' ' 153' ' ' LEU . 2.7 tt -60.74 -52.49 64.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -61.91 -38.12 87.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -52.66 47.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -62.72 -40.06 96.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' GLN . . . . . 0.452 ' O ' ' CG ' ' A' ' 160' ' ' MET . 17.7 tt0 -62.93 -44.88 94.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.38 -32.12 68.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.11 -48.66 77.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.49 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 4.7 ptm -68.03 -32.69 73.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.49 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -65.85 -38.83 89.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.48 -19.06 65.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -90.4 -9.4 47.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.6 OUTLIER 81.74 34.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.46 118.11 35.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.05 11.61 13.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.22 71.17 3.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.607 ' O ' ' HB1' ' A' ' 121' ' ' ALA . 36.4 p-80 -52.22 148.13 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.613 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.614 HD11 HD21 ' A' ' 153' ' ' LEU . 0.1 OUTLIER -69.55 142.78 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 66.5 p -94.76 2.07 55.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.44 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.477 ' CG2' HD12 ' A' ' 153' ' ' LEU . 0.6 OUTLIER -72.93 133.56 44.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.387 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -118.97 128.05 54.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.258 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 173' ' ' ILE . . . . . 0.419 HD12 HD13 ' A' ' 153' ' ' LEU . 16.4 mt -109.33 121.09 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.221 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -147.05 165.35 30.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -42.84 163.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 176' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -87.1 87.27 7.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 4.0 p -59.53 162.7 8.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.16 5.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.558 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -79.0 141.19 37.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 180' ' ' TYR . . . . . 0.4 ' O ' ' O ' ' A' ' 181' ' ' TYR . 19.8 m-85 -119.99 108.98 14.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.81 ' HB3' HG21 ' A' ' 24' ' ' VAL . 26.5 m-85 -36.89 155.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.442 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -118.32 174.79 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 183' ' ' GLU . . . . . 0.571 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 0.4 OUTLIER -38.35 130.44 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 110.329 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.1 -23.11 2.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.45 -33.42 60.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 186' ' ' HIS . . . . . 0.571 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 63.1 m-70 -69.51 -46.04 67.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 0.612 ' O ' ' HG2' ' A' ' 188' ' ' GLN . 36.7 mm-40 -44.94 122.75 3.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.814 ' CD ' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER 36.18 60.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.421 1.076 . . . . 0.0 110.309 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.631 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 10.8 t80 -84.41 -25.59 28.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -46.2 67.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -29.08 65.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.563 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -66.38 -37.36 85.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -139.23 107.14 7.29 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.504 1.792 . . . . 0.0 111.021 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.33 148.77 88.66 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 111.057 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 132.05 14.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.779 . . . . 0.0 111.005 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.812 HG21 ' HB3' ' A' ' 181' ' ' TYR . 5.4 t -129.48 131.55 67.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.14 160.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.738 HG22 HD13 ' A' ' 27' ' ' LEU . 1.8 m -89.4 -42.99 11.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.397 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.738 HD13 HG22 ' A' ' 26' ' ' THR . 0.2 OUTLIER -106.77 139.87 40.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.592 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 17.1 t-80 -50.04 150.57 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.637 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.423 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -80.08 -30.08 39.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 1.085 HG11 ' CE2' ' A' ' 60' ' ' TRP . 70.4 t -91.68 -66.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -54.13 -39.88 66.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.28 16.3 76.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.396 1.06 . . . . 0.0 111.005 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.505 ' CG ' ' N ' ' A' ' 34' ' ' SER . 9.8 t60 -131.12 164.12 26.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 109.617 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.505 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 78.0 p -47.2 132.1 12.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.058 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.6 ptm -98.6 -23.15 15.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 111.054 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 38' ' ' VAL . 42.4 p -78.25 -51.82 9.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 110.443 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -54.53 127.01 25.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.975 HG21 HD11 ' A' ' 44' ' ' ILE . 40.4 t -118.54 105.07 46.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 142.92 28.68 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.99 130.07 15.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.362 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.21 -15.86 30.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.543 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 0.7 OUTLIER -104.26 141.1 36.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.596 0.821 . . . . 0.0 111.003 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.69 162.4 22.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.975 HD11 HG21 ' A' ' 38' ' ' VAL . 2.7 mp -113.56 150.28 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -150.8 131.78 14.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.575 HG22 ' CD2' ' A' ' 139' ' ' TYR . 31.0 mt -102.41 138.74 25.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -149.99 148.01 28.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.512 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -128.45 130.05 47.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.766 ' HB3' HG21 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -132.53 171.16 14.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.937 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.81 -54.24 11.97 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.677 ' HB3' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -87.63 179.57 6.5 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.2 p90 -141.11 -44.91 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.98 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.693 ' HB3' HD23 ' A' ' 190' ' ' LEU . 16.5 m0 -70.74 -45.21 65.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 108.042 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 58' ' ' LEU . . . -77.52 -34.31 40.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.766 HG21 ' HB3' ' A' ' 49' ' ' MET . 69.1 t -71.7 -39.77 69.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.581 ' OE1' ' HB2' ' A' ' 70' ' ' ALA . 1.8 tt0 -64.86 -55.08 21.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.507 ' HD3' HD12 ' A' ' 190' ' ' LEU . 0.0 OUTLIER -65.53 -24.99 67.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.658 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -67.79 -38.22 83.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.524 ' CG ' HG12 ' A' ' 98' ' ' ILE . 10.5 m-85 -63.44 -50.18 70.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 1.085 ' CE2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -67.8 -54.99 14.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 108.033 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.52 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 2.8 mm-40 -48.24 -22.67 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.862 HD13 ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -72.61 140.6 81.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.862 ' HD2' HD13 ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.03 113.61 3.83 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.45 1.763 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.92 -23.95 4.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.5 t -87.95 129.53 39.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.543 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 0.2 OUTLIER -81.78 -57.44 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.554 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 3.4 m -153.37 166.8 31.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 97' ' ' ARG . 61.8 p -137.93 171.0 15.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.436 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.474 ' HB1' ' CE1' ' A' ' 181' ' ' TYR . . . -146.59 121.57 10.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.456 1.097 . . . . 0.0 109.362 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.846 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -82.94 138.09 33.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -164.41 -166.67 23.72 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 72' ' ' TYR . 0.2 OUTLIER -131.94 163.39 28.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 0.802 . . . . 0.0 111.019 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.417 ' OG1' ' CG2' ' A' ' 177' ' ' THR . 13.9 t -171.06 162.69 7.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.43 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.12 -18.85 55.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.513 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -85.91 -178.5 50.08 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -114.54 -24.49 8.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 110.96 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.94 124.98 89.83 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.421 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 155.02 42.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.767 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.4 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 1.0 OUTLIER 41.46 65.21 4.75 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.46 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.03 156.31 42.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.543 1.812 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.9 m -113.36 155.37 25.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.388 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -56.33 -48.86 75.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -66.86 -35.62 80.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 110.343 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -67.41 -42.75 82.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.371 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.5 t -62.98 -38.95 83.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.4 m -60.77 -22.46 64.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.942 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.99 -39.58 69.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.043 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.73 11.29 65.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -88.99 -4.52 58.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 0.743 . . . . 0.0 109.279 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 p -102.78 -21.8 14.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.398 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.53 10.94 51.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.513 ' CG ' ' HA3' ' A' ' 75' ' ' GLY . 31.3 m-70 -72.81 152.21 41.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 109.583 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -119.19 170.25 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.512 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 18.1 mm-40 -82.39 126.1 31.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -152.56 149.96 29.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.846 HG12 ' HA ' ' A' ' 70' ' ' ALA . 32.3 m -140.32 163.08 23.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.528 ' CG ' HG23 ' A' ' 44' ' ' ILE . 47.4 ttp180 -101.26 142.94 31.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.176 . . . . 0.0 110.243 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.524 HG12 ' CG ' ' A' ' 59' ' ' PHE . 4.8 mp -126.58 116.57 45.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.412 HG22 ' CG1' ' A' ' 44' ' ' ILE . 35.8 t -109.13 99.82 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.501 ' HD2' HG22 ' A' ' 98' ' ' ILE . 30.4 p90 -129.95 176.78 7.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.593 1.183 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.36 132.85 21.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -74.94 1.55 7.58 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.407 1.74 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.85 -28.98 16.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.6 t -97.44 -50.4 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.487 HG23 ' CD1' ' A' ' 100' ' ' TYR . 16.6 tt -115.37 161.31 14.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.4 p -124.74 147.43 48.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.065 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 26.0 p90 -49.76 -35.63 23.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.594 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 4.4 tp10 -61.7 -43.34 99.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -62.9 -47.74 81.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.407 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 41.3 mt -56.2 -47.62 78.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.386 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 108' ' ' GLU . 5.0 mt -60.43 -43.01 97.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -58.52 -53.8 54.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.732 HG21 HD11 ' A' ' 62' ' ' LEU . 3.8 t -59.05 -51.58 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.539 ' CE2' ' HG3' ' A' ' 49' ' ' MET . 5.9 t80 -55.17 -48.7 73.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.434 1.084 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.449 ' CE3' ' CE2' ' A' ' 156' ' ' PHE . 21.4 m95 -63.61 -20.82 65.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 108.043 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -83.82 -36.77 23.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -90.55 -0.44 57.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.54 169.26 15.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.655 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -112.22 155.1 44.05 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 160.03 40.74 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.583 1.833 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' ' 167' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -113.35 138.63 49.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -141.07 123.64 15.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 31.3 p -69.74 87.98 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -121.44 151.58 40.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.363 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.477 HG22 ' HD3' ' A' ' 140' ' ' PRO . 79.9 mt -115.87 131.67 67.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.575 ' CD2' HG22 ' A' ' 46' ' ' ILE . 76.9 m-85 -124.21 83.19 56.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.493 ' C ' HD22 ' A' ' 141' ' ' LEU . 18.5 Cg_endo -74.96 169.98 21.42 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.784 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.493 HD22 ' C ' ' A' ' 140' ' ' PRO . 4.2 mm? -115.66 -48.23 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 2.0 p -93.36 164.2 22.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.347 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.409 ' HA ' ' HB2' ' A' ' 146' ' ' ASP . 18.4 Cg_endo -75.03 -34.55 3.71 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 0.0 111.034 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.14 -52.25 63.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.423 ' OE1' ' HA ' ' A' ' 140' ' ' PRO . 6.4 pt20 -71.93 -34.65 69.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.25 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ASP . . . . . 0.409 ' HB2' ' HA ' ' A' ' 143' ' ' PRO . 0.5 OUTLIER -55.53 -54.25 46.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.77 -46.5 84.96 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -55.89 -41.19 74.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.92 -53.0 63.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -66.89 -39.87 87.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.287 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.8 -35.12 65.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 156' ' ' PHE . 56.1 p -78.22 -42.9 29.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.682 HD23 ' C ' ' A' ' 153' ' ' LEU . 4.5 tt -58.71 -53.18 61.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -57.06 -30.0 63.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.087 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.79 -31.75 28.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.449 ' CE2' ' CE3' ' A' ' 115' ' ' TRP . 1.4 t80 -69.14 -54.51 14.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' A' ' 160' ' ' MET . 1.0 OUTLIER -60.24 -31.81 70.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 157' ' ' GLN . . . -71.88 -36.42 70.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -57.95 -49.33 77.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.477 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 6.9 ptm -68.28 -33.02 73.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.477 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.0 OUTLIER -63.04 -42.55 99.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.07 -22.79 67.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -83.71 -10.98 57.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.1 t70 82.21 31.95 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.409 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.35 124.38 48.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.238 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -92.31 18.95 7.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' ARG . . . . . 0.46 ' HB3' ' HB3' ' A' ' 121' ' ' ALA . 37.1 mmt180 -84.33 74.43 10.34 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -69.42 123.35 21.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.652 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.541 ' H ' HD13 ' A' ' 169' ' ' ILE . 0.2 OUTLIER -73.67 139.83 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 65.7 m -88.36 56.61 3.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.43 ' CG2' HD12 ' A' ' 153' ' ' LEU . 20.5 m -93.62 124.97 37.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.387 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.07 127.27 50.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 7.0 mt -105.89 122.51 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -143.62 167.89 21.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -48.92 165.72 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.36 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 176' ' ' ALA . . . . . 0.409 ' HB1' HD12 ' A' ' 46' ' ' ILE . . . -86.42 83.99 7.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 177' ' ' THR . . . . . 0.417 ' CG2' ' OG1' ' A' ' 73' ' ' THR . 0.5 OUTLIER -62.57 162.48 20.16 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.355 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 109.5 2.94 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.569 1.826 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 10.3 p90 -87.65 144.63 26.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -99.28 122.95 43.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.812 ' HB3' HG21 ' A' ' 24' ' ' VAL . 7.1 m-85 -44.75 170.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.419 ' O ' ' NE2' ' A' ' 187' ' ' GLN . . . -127.66 171.28 11.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.071 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -48.11 137.07 10.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 1.081 . . . . 0.0 110.313 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -56.65 -27.06 57.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.213 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.55 -44.35 94.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 186' ' ' HIS . . . . . 0.459 ' HD1' ' HZ2' ' A' ' 53' ' ' TRP . 73.0 m-70 -69.28 -37.99 78.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.564 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 182' ' ' ALA . 0.0 OUTLIER -53.15 114.36 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.592 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 7.6 mp0 51.93 54.03 11.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.585 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 10.1 t80 -85.14 -25.81 27.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.693 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -69.0 -46.38 68.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -29.53 66.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.571 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.12 -29.28 67.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.8 OUTLIER -135.06 99.22 12.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.494 1.786 . . . . 0.0 110.977 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 111.017 -0.417 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.404 ' HE1' ' HA ' ' A' ' 81' ' ' THR . 0.0 OUTLIER -71.57 154.17 93.33 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.423 1.077 . . . . 0.0 110.966 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 125.11 9.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.634 HG21 ' CB ' ' A' ' 181' ' ' TYR . 11.1 t -123.13 138.97 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.05 159.56 3.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 m -80.1 -29.84 39.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.424 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.477 ' CB ' ' C ' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -142.89 143.13 31.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.365 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.552 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 14.9 t-80 -39.42 150.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.624 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.888 ' HB3' ' HG3' ' A' ' 188' ' ' GLN . . . -80.44 -33.45 36.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.891 HG11 ' CE2' ' A' ' 60' ' ' TRP . 53.8 t -84.52 -69.52 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -52.3 -39.84 61.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.38 19.54 76.38 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.424 1.077 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.477 ' C ' ' CB ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -121.46 162.12 21.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 109.639 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.458 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 1.2 t -41.42 145.96 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.954 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.47 -33.61 10.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.964 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 t -87.84 -35.2 17.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.458 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 1.2 t-20 -63.82 138.25 58.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.591 HG21 HD11 ' A' ' 44' ' ' ILE . 8.2 t -130.72 117.69 17.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 149.12 36.36 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.539 1.81 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.77 134.87 56.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.32 4.39 66.37 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.699 ' HE2' ' HB2' ' A' ' 66' ' ' TYR . 3.3 ttm -107.93 152.43 24.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 0.825 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 0.7 OUTLIER -140.23 161.28 38.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.173 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.762 HG12 HG22 ' A' ' 99' ' ' VAL . 3.6 mt -113.63 154.81 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -144.58 130.6 19.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.63 HD12 ' HB1' ' A' ' 176' ' ' ALA . 7.7 mt -101.22 127.23 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -141.94 147.66 37.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -134.7 126.37 28.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.517 ' HB2' HG11 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -135.05 175.56 9.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 110.981 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -42.39 -77.39 0.08 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.663 ' HB3' HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -71.39 -179.73 2.6 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.542 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -141.78 -48.99 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 111.051 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.793 ' CZ3' ' CE1' ' A' ' 189' ' ' TYR . 26.5 m0 -67.14 -42.38 84.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 107.993 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.19 -34.66 36.42 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.591 1.182 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.663 HG23 ' HB3' ' A' ' 51' ' ' CYS . 78.7 t -73.37 -50.14 32.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.554 0.797 . . . . 0.0 109.248 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 188' ' ' GLN . 1.5 tt0 -51.19 -55.41 18.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.214 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.03 -26.57 68.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.582 HD22 ' CG ' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -65.61 -23.51 66.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.524 ' O ' HG21 ' A' ' 65' ' ' VAL . 22.3 m-85 -81.35 -49.75 10.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.891 ' CE2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -69.17 -53.91 17.6 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.503 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 4.6 mm-40 -48.9 -22.5 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.739 HD23 HG23 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -76.73 141.4 68.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.05 115.15 4.2 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.797 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.443 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 128.44 -18.95 5.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.739 HG23 HD23 ' A' ' 62' ' ' LEU . 25.6 t -89.07 121.48 39.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 0.775 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.699 ' HB2' ' HE2' ' A' ' 42' ' ' MET . 3.0 t80 -75.51 -47.8 25.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.434 1.084 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.1 m -162.63 164.03 26.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.961 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.438 ' O ' ' NE2' ' A' ' 28' ' ' HIS . 35.1 p -146.7 140.62 26.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -120.0 141.66 49.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.786 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -103.2 140.48 37.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.793 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -168.79 -154.49 8.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -136.61 168.59 19.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 111.046 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 t -175.33 174.74 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.34 -19.52 39.16 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.435 1.084 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.516 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -86.38 -176.98 49.71 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -113.91 -21.49 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.429 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 9.0 m -74.95 117.43 62.62 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.396 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.17 31.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.471 1.774 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.428 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 89.4 m-20 48.56 64.04 9.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -75.0 160.73 39.81 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.467 1.772 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 85' ' ' VAL . 83.2 m -118.04 153.64 33.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -52.83 -40.37 63.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.9 mtm-85 -69.27 -45.03 70.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.68 -44.31 82.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.241 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.422 ' CG2' ' HB2' ' A' ' 80' ' ' PRO . 55.6 t -61.01 -40.93 87.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.7 t -61.53 -30.65 70.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.042 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.3 m -67.37 -39.2 85.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.062 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.52 8.33 61.1 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.431 1.082 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -88.09 5.7 39.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 0.766 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 p -106.17 -16.8 14.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.09 19.99 40.6 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.516 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 42.2 m-70 -91.4 156.56 17.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 0.734 . . . . 0.0 109.638 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -122.18 167.96 12.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.406 1.066 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -81.15 110.11 16.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.226 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.86 152.71 50.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.786 HG12 ' HA ' ' A' ' 70' ' ' ALA . 19.7 m -141.14 158.0 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.225 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.502 ' HG3' ' CG ' ' A' ' 179' ' ' PHE . 17.8 mtm180 -99.73 141.67 32.22 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.519 HG12 ' CG ' ' A' ' 59' ' ' PHE . 5.1 mp -126.94 116.0 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 109.246 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.762 HG22 HG12 ' A' ' 44' ' ' ILE . 20.8 t -105.72 107.13 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.434 ' CD2' HD11 ' A' ' 110' ' ' LEU . 41.9 p90 -126.91 -179.88 5.05 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.47 133.41 24.02 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 0.41 8.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.569 1.826 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.8 t -94.59 -24.07 17.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.3 t -104.8 -48.56 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.471 ' CD1' ' HG ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -132.07 136.11 57.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.454 ' O ' HD13 ' A' ' 105' ' ' ILE . 5.6 p -91.36 161.7 14.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.975 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.632 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 28.8 p90 -60.8 -38.45 85.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.632 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.3 OUTLIER -58.43 -39.99 81.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -59.82 -34.79 73.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.471 ' HG ' ' CD1' ' A' ' 105' ' ' ILE . 63.2 mt -65.64 -46.51 78.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.574 ' HB3' ' CZ2' ' A' ' 115' ' ' TRP . 2.1 mt -67.19 -34.54 77.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -56.78 -50.51 72.1 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 117' ' ' ASN . 0.3 OUTLIER -74.24 -33.52 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.428 ' HA ' ' HE3' ' A' ' 49' ' ' MET . 17.5 t80 -54.43 -53.18 57.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.574 ' CZ2' ' HB3' ' A' ' 111' ' ' LEU . 1.4 m0 -59.69 -25.82 65.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.128 . . . . 0.0 108.015 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.91 -30.01 28.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.582 ' CG ' HD22 ' A' ' 58' ' ' LEU . 13.7 t-20 -97.11 4.13 51.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.362 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.447 ' NE2' ' CB ' ' A' ' 136' ' ' SER . 6.3 t-160 -83.33 174.89 10.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.573 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -117.37 160.13 38.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.378 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 159.57 40.93 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.939 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 38.0 p90 -100.38 125.33 46.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.9 171.02 14.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.447 ' CB ' ' NE2' ' A' ' 118' ' ' HIS . 50.5 m -97.6 108.48 21.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.007 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -144.54 149.35 35.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.841 HG22 ' HD3' ' A' ' 140' ' ' PRO . 59.4 mt -112.46 131.27 64.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -129.42 76.19 79.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.841 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.3 Cg_endo -75.01 166.75 28.54 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.518 1.799 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.732 HD22 ' HB3' ' A' ' 176' ' ' ALA . 0.2 OUTLIER -110.21 -43.37 3.95 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.4 p -83.16 158.71 63.76 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -37.28 2.08 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -63.32 -33.6 75.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.342 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -70.02 -42.21 73.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.323 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -52.68 60.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -52.93 -51.08 62.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.49 96.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.96 -58.39 8.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 151' ' ' ALA . 25.7 ptt180 -63.6 -30.32 71.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 150' ' ' ARG . . . -60.07 -38.82 83.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.551 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 8.4 p -72.08 -32.99 67.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.541 HD23 ' C ' ' A' ' 153' ' ' LEU . 5.5 tt -62.26 -52.77 62.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -60.09 -45.77 91.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -50.89 69.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.353 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -64.27 -44.81 90.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.37 -41.95 88.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 110.25 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -60.18 -46.62 89.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.545 ' O ' ' HB3' ' A' ' 162' ' ' ALA . . . -65.91 -42.24 90.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 6.1 tmm? -60.56 -48.22 82.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -27.6 69.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 159' ' ' ALA . . . -61.73 -16.77 52.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -74.66 -7.85 54.53 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.0 t70 76.18 21.16 1.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.367 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -107.0 149.92 27.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.05 15.99 20.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -84.23 68.31 10.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 1.073 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -70.64 141.79 51.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.609 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.531 HG22 ' HB ' ' A' ' 171' ' ' THR . 2.0 mp -63.97 135.41 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 32.9 m -92.88 33.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.531 ' HB ' HG22 ' A' ' 169' ' ' ILE . 0.4 OUTLIER -85.33 131.63 34.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.383 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -121.39 139.31 53.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 20.1 mt -115.6 128.3 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.13 167.85 21.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -44.38 166.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 176' ' ' ALA . . . . . 0.732 ' HB3' HD22 ' A' ' 141' ' ' LEU . . . -86.6 89.51 7.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 31.0 p -59.22 163.25 6.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.395 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 113.46 3.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.77 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.578 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.1 OUTLIER -76.72 142.84 40.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.607 1.192 . . . . 0.0 110.992 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 180' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 181' ' ' TYR . 5.1 m-85 -120.45 107.77 13.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.634 ' CB ' HG21 ' A' ' 24' ' ' VAL . 63.4 m-85 -36.45 150.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 111.045 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.793 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -113.96 174.07 6.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 183' ' ' GLU . . . . . 0.401 ' HB2' ' CD2' ' A' ' 186' ' ' HIS . 11.8 mt-10 -44.45 130.49 6.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -51.83 -24.12 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.21 -38.86 82.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 186' ' ' HIS . . . . . 0.401 ' CD2' ' HB2' ' A' ' 183' ' ' GLU . 53.0 m-70 -74.3 -46.0 43.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 109.627 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 0.621 ' O ' ' HG2' ' A' ' 188' ' ' GLN . 8.2 mt-30 -48.89 129.93 17.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.888 ' HG3' ' HB3' ' A' ' 29' ' ' ALA . 0.3 OUTLIER 34.58 56.98 0.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.793 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 6.2 t80 -85.03 -27.55 26.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.25 -46.33 67.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.522 ' CG ' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -57.24 -28.9 63.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.573 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.7 -33.07 72.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.5 OUTLIER -133.78 100.45 13.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.533 1.807 . . . . 0.0 110.977 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.495 ' N ' HD22 ' A' ' 79' ' ' ASN . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.907 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.402 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -83.0 144.1 46.99 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 22' ' ' MET . 18.4 Cg_endo -74.96 139.22 24.14 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.522 1.801 . . . . 0.0 111.056 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 181' ' ' TYR . 43.0 t -130.64 130.88 64.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.26 165.42 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.543 1.152 . . . . 0.0 109.233 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.928 ' C ' HD13 ' A' ' 27' ' ' LEU . 35.3 m -88.5 -42.7 11.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.442 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.928 HD13 ' C ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -112.79 159.15 19.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.564 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 18.6 t-80 -69.11 158.56 34.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.638 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.34 -27.8 27.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.239 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.649 HG22 ' CG ' ' A' ' 191' ' ' HIS . 58.4 t -94.83 -66.4 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 4.0 t-20 -55.76 -40.08 72.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.9 15.41 79.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.575 ' CG ' ' N ' ' A' ' 34' ' ' SER . 1.3 t-80 -128.13 169.18 14.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.655 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.575 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.5 OUTLIER -53.9 131.67 40.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -99.34 -17.1 18.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.44 HG23 ' N ' ' A' ' 37' ' ' ASN . 15.0 t -88.09 -50.63 6.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.405 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.44 ' N ' HG23 ' A' ' 36' ' ' THR . 19.4 t-20 -54.64 140.97 33.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.916 HG21 HD11 ' A' ' 44' ' ' ILE . 16.5 t -126.35 109.69 23.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.224 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.14 148.06 34.25 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.465 1.771 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -57.55 133.54 55.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.405 ' O ' ' OD1' ' A' ' 101' ' ' ASP . . . 99.47 -4.52 58.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.412 1.07 . . . . 0.0 111.049 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.548 ' HE2' ' HB2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -102.49 164.33 11.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 0.743 . . . . 0.0 111.02 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -140.91 159.11 42.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.916 HD11 HG21 ' A' ' 38' ' ' VAL . 2.7 mp -115.53 148.41 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -140.7 134.23 30.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.39 1.056 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.814 HG21 ' CE2' ' A' ' 179' ' ' PHE . 91.2 mt -114.43 134.24 58.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.541 ' CD2' ' CZ ' ' A' ' 59' ' ' PHE . 62.3 m-85 -145.08 165.18 28.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 111.023 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.484 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -148.32 125.88 11.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.716 ' HB2' HG11 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -133.26 165.56 24.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -38.82 -70.75 0.28 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.634 ' CB ' HG23 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -60.7 179.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -136.85 -53.49 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.408 ' HB3' HD23 ' A' ' 190' ' ' LEU . 25.3 m0 -82.14 -36.23 27.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 107.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -69.1 -41.14 82.04 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.57 1.169 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.716 HG11 ' HB2' ' A' ' 49' ' ' MET . 59.8 t -69.66 -61.82 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.453 0.737 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.498 ' HG3' ' CZ3' ' A' ' 60' ' ' TRP . 8.1 pt-20 -49.63 -40.25 38.76 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.526 ' HA ' ' CD2' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -65.08 -33.7 76.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.645 HD23 ' HA ' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -76.76 -20.73 56.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.39 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.541 ' CZ ' ' CD2' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -76.49 -51.44 11.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.526 ' CD2' ' HA ' ' A' ' 57' ' ' ARG . 0.8 OUTLIER -72.16 -11.79 60.89 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.46 -7.44 57.65 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.09 HD11 HG21 ' A' ' 113' ' ' VAL . 0.8 OUTLIER -81.56 137.37 48.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.648 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.4 Cg_endo -74.93 108.2 2.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.56 -9.1 5.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 111.055 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.4 HG13 HG23 ' A' ' 98' ' ' ILE . 54.2 t -86.73 121.93 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.572 0.807 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.548 ' HB2' ' HE2' ' A' ' 42' ' ' MET . 0.7 OUTLIER -75.82 -54.7 6.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.949 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 m -157.72 161.24 38.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.417 HG22 ' HA ' ' A' ' 98' ' ' ILE . 64.1 p -140.45 149.41 42.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 110.463 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.424 ' HB1' ' CE2' ' A' ' 181' ' ' TYR . . . -137.47 123.51 20.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.421 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -82.59 140.02 33.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -160.01 -174.84 30.29 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -118.52 154.66 32.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.753 . . . . 0.0 111.04 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.888 HG21 ' CZ ' ' A' ' 179' ' ' PHE . 11.5 t -151.2 166.88 29.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.463 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.21 -43.42 2.93 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 110.933 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.498 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -56.19 161.67 6.62 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -103.87 -20.63 13.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.773 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 3.5 m -84.08 128.4 62.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.377 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.3 Cg_endo -75.04 166.29 29.46 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.561 1.821 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.495 HD22 ' N ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER 40.28 66.2 3.46 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.56 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 18.5 Cg_endo -74.95 146.23 32.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.557 1.82 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.905 ' O ' HG23 ' A' ' 85' ' ' VAL . 90.0 m -114.04 162.62 16.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -62.57 -39.56 94.07 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -41.04 68.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 110.31 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -66.82 -44.3 81.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.257 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 81' ' ' THR . 57.3 t -66.83 -41.29 87.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.1 t -59.67 -27.81 66.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.085 . . . . 0.0 109.952 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.3 t -71.59 -39.06 70.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.38 14.75 63.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.049 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -86.12 -2.68 58.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.391 0.701 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.5 p -108.91 -24.53 11.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.65 6.81 78.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.56 ' CD2' ' HB3' ' A' ' 80' ' ' PRO . 23.0 m-70 -60.29 149.06 34.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 0.747 . . . . 0.0 109.633 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -120.56 152.57 37.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.363 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.484 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 13.5 pt-20 -69.96 136.71 50.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.523 ' HB1' ' HE2' ' A' ' 179' ' ' PHE . . . -157.91 163.99 37.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.462 HG11 ' HB3' ' A' ' 56' ' ' GLU . 19.1 m -149.87 139.62 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.152 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -93.05 144.34 25.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 110.218 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.524 HG12 ' CD1' ' A' ' 59' ' ' PHE . 5.4 mp -134.48 120.59 33.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.735 HG22 ' CG1' ' A' ' 44' ' ' ILE . 91.2 t -109.62 103.82 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.737 ' CD1' HG23 ' A' ' 105' ' ' ILE . 30.0 p90 -124.22 179.49 4.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 41' ' ' GLY . 0.1 OUTLIER -110.64 138.0 20.9 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.0 Cg_endo -75.06 1.16 8.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.34 -25.99 16.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.1 t -101.97 -50.24 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.737 HG23 ' CD1' ' A' ' 100' ' ' TYR . 3.7 tp -123.14 143.72 35.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.1 p -112.63 162.84 15.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.637 ' HE2' ' HB2' ' A' ' 148' ' ' ALA . 29.3 p90 -57.11 -37.38 71.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.461 ' N ' ' CG ' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -62.88 -42.07 99.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 110.221 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.594 ' O ' HG23 ' A' ' 113' ' ' VAL . 78.3 mt-30 -64.81 -44.68 89.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.702 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 16.8 mt -68.11 -41.22 82.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.57 ' HB3' ' CZ2' ' A' ' 115' ' ' TRP . 1.5 mm? -63.42 -36.65 84.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -65.54 -43.11 90.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 1.09 HG21 HD11 ' A' ' 62' ' ' LEU . 75.4 t -59.13 -38.7 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 118' ' ' HIS . 3.2 t80 -62.09 -47.41 84.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.57 ' CZ2' ' HB3' ' A' ' 111' ' ' LEU . 3.9 m0 -66.05 -17.24 64.56 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -86.29 -38.26 17.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.625 ' CG ' HD22 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -96.75 5.33 50.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 114' ' ' PHE . 0.5 OUTLIER -61.52 145.43 51.93 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.478 1.111 . . . . 0.0 109.627 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -104.13 162.64 19.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.241 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 152.67 41.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.452 ' HB1' ' O ' ' A' ' 168' ' ' HIS . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -96.28 91.74 6.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.947 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -129.88 172.79 11.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.599 1.187 . . . . 0.0 110.288 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 30.4 p -106.78 132.62 52.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.028 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.405 ' H ' ' HB3' ' A' ' 48' ' ' ALA . . . -152.86 152.96 32.14 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.561 HG22 ' HD3' ' A' ' 140' ' ' PRO . 4.6 mt -111.63 133.17 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.451 ' HB2' HG22 ' A' ' 46' ' ' ILE . 89.2 m-85 -130.14 75.72 78.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.561 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.1 Cg_endo -75.01 156.41 42.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 110.944 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.409 HD13 ' HB3' ' A' ' 176' ' ' ALA . 24.4 tp -110.33 -34.64 6.29 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.488 1.118 . . . . 0.0 109.384 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.401 ' OG1' ' CD ' ' A' ' 145' ' ' GLN . 21.8 p -91.86 162.68 30.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 0.0 110.384 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -34.62 3.63 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.532 1.807 . . . . 0.0 110.964 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.91 -38.77 92.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.401 ' CD ' ' OG1' ' A' ' 142' ' ' THR . 47.1 mt-30 -67.0 -45.08 78.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.74 -46.65 89.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.172 . . . . 0.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -53.06 -50.19 64.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.637 ' HB2' ' HE2' ' A' ' 107' ' ' TYR . . . -68.72 -44.22 74.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.85 -59.23 5.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.28 -38.02 87.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.342 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -62.65 -47.49 83.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.497 ' HB2' ' CE2' ' A' ' 115' ' ' TRP . 1.9 p -63.99 -47.48 80.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.03 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 153' ' ' LEU . 4.2 tt -52.92 -50.86 63.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.53 -43.07 95.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 159' ' ' ALA . 0.0 OUTLIER -58.63 -51.94 67.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -63.64 -41.48 98.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -61.93 -51.68 67.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.18 -48.18 62.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.518 ' O ' ' HB3' ' A' ' 162' ' ' ALA . . . -51.75 -49.84 61.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.386 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 33.1 ttp -61.98 -48.2 81.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.963 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -24.9 63.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 159' ' ' ALA . . . -71.22 -21.42 62.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -85.4 7.2 23.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.17 35.41 10.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -111.02 132.19 54.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.65 63.53 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.097 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' ARG . . . . . 0.418 ' HB3' ' HB3' ' A' ' 121' ' ' ALA . 0.1 OUTLIER -126.3 77.63 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 110.288 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.452 ' O ' ' HB1' ' A' ' 121' ' ' ALA . 31.7 m170 -54.6 139.47 38.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 109.614 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.5 mt -82.58 149.3 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 88.2 m -94.65 35.87 1.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.448 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.6 m -96.78 123.12 40.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 110.42 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.99 124.46 42.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 9.8 mt -97.39 120.92 47.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -137.8 169.23 18.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -53.2 155.1 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 176' ' ' ALA . . . . . 0.409 ' HB3' HD13 ' A' ' 141' ' ' LEU . . . -87.59 82.97 7.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 177' ' ' THR . . . . . 0.428 ' HB ' ' HD2' ' A' ' 178' ' ' PRO . 69.0 p -76.85 163.71 63.83 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 178' ' ' PRO . . . . . 0.428 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.3 Cg_endo -74.96 103.06 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.44 1.758 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.888 ' CZ ' HG21 ' A' ' 73' ' ' THR . 7.3 m-30 -76.49 145.84 38.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.596 1.185 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 180' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 181' ' ' TYR . 19.2 m-85 -89.63 114.68 26.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.564 ' HB3' HG21 ' A' ' 24' ' ' VAL . 30.9 m-85 -37.22 155.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -104.82 174.22 5.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.12 142.04 7.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.262 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -53.18 -28.46 26.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -45.12 93.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -62.71 -46.03 90.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.617 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -51.83 98.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.564 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 5.7 mp0 62.78 60.8 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.253 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.452 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 15.2 t80 -84.19 -25.4 29.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.408 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -70.78 -44.13 67.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.649 ' CG ' HG22 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -58.34 -38.29 76.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.608 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -36.95 77.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.9 OUTLIER -139.02 106.41 7.37 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 111.005 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.928 0 N-CA-C 111.057 -0.401 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 47.7 tpp -70.3 132.38 87.94 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 128.92 11.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.732 HG21 ' HB3' ' A' ' 181' ' ' TYR . 25.1 t -136.47 144.1 33.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.02 152.67 38.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.748 HG22 HD13 ' A' ' 27' ' ' LEU . 1.8 m -78.09 -40.89 36.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.748 HD13 HG22 ' A' ' 26' ' ' THR . 0.1 OUTLIER -107.88 139.29 42.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.265 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.527 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 18.0 t-80 -52.65 154.51 2.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.642 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.5 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -82.26 -27.76 32.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 1.076 HG11 ' CE2' ' A' ' 60' ' ' TRP . 77.0 t -95.16 -66.54 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -54.82 -36.81 65.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.1 19.71 79.76 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.546 1.153 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.511 ' CG ' ' N ' ' A' ' 34' ' ' SER . 1.6 t-80 -127.97 164.99 21.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 109.549 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.511 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -43.41 144.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.997 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.8 mtp -97.57 -64.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 111.055 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.42 HG23 ' H ' ' A' ' 36' ' ' THR . 46.1 p -53.67 -50.53 65.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.354 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -56.15 127.13 29.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.431 HG22 HG11 ' A' ' 99' ' ' VAL . 36.9 t -125.72 129.88 24.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 38' ' ' VAL . 18.2 Cg_endo -75.01 142.88 28.34 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.516 1.798 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.12 129.0 29.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.55 -9.51 32.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.443 1.089 . . . . 0.0 111.038 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.454 ' HE1' ' HB2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -104.66 155.09 19.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 111.053 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -134.12 159.6 40.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.809 ' CG1' HG22 ' A' ' 99' ' ' VAL . 3.8 mt -106.02 147.03 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -138.95 132.17 29.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.554 HG22 ' CD2' ' A' ' 139' ' ' TYR . 6.9 mt -111.47 137.01 45.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -150.57 161.51 42.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.617 ' HB3' ' H ' ' A' ' 137' ' ' ALA . . . -129.65 117.98 21.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.375 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.793 ' HB3' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -121.21 177.02 5.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -55.36 -77.36 0.15 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.3 m -65.01 178.83 0.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.558 ' CE2' ' HB1' ' A' ' 70' ' ' ALA . 3.3 t80 -126.18 -49.19 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.518 ' CG ' ' HB3' ' A' ' 189' ' ' TYR . 12.1 m0 -83.22 -38.24 22.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 107.95 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.72 -47.77 86.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.128 . . . . 0.0 111.059 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.793 HG11 ' HB3' ' A' ' 49' ' ' MET . 32.0 m -70.65 -53.81 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.276 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.547 ' N ' HG23 ' A' ' 55' ' ' VAL . 1.8 tt0 -49.33 -53.91 19.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -64.33 -27.89 69.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.233 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -41.64 75.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.597 ' O ' HG21 ' A' ' 65' ' ' VAL . 6.6 m-85 -57.76 -49.95 74.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 1.076 ' CE2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -68.29 -54.87 14.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 108.083 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.521 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 1.6 mm100 -48.91 -22.49 0.85 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.107 HD11 HG11 ' A' ' 113' ' ' VAL . 10.4 mt -76.05 142.22 72.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 113.03 3.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.443 1.759 . . . . 0.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.83 -21.76 4.4 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.487 1.117 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.597 HG21 ' O ' ' A' ' 59' ' ' PHE . 70.7 t -88.27 125.75 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.571 0.806 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.454 ' HB2' ' HE1' ' A' ' 42' ' ' MET . 2.8 t80 -81.22 -56.99 3.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.9 p -148.57 160.05 43.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.096 . . . . 0.0 110.05 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 20.4 p -141.22 167.73 21.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.355 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.657 ' HB3' ' HG2' ' A' ' 97' ' ' ARG . . . -153.14 142.91 22.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.669 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -97.79 139.85 33.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.077 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.723 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -168.3 -159.26 13.55 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.401 ' HA ' ' O ' ' A' ' 93' ' ' ALA . 5.1 m-85 -147.43 168.99 20.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 111.006 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.0 t -172.53 166.55 5.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.474 1.109 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.47 -12.49 67.74 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.428 1.08 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.505 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -77.16 172.13 55.13 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.491 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 0.6 OUTLIER -106.76 -29.16 9.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 0.807 . . . . 0.0 111.031 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.5 m -79.28 127.7 78.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.441 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -75.0 166.34 29.4 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.575 1.829 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.402 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 54.8 m-80 40.44 64.6 4.6 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.538 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 18.5 Cg_endo -74.94 147.27 33.96 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.519 1.799 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.9 m -116.33 155.62 28.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.464 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -56.2 -48.14 76.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -38.84 84.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.594 1.184 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.428 ' OE2' ' CG2' ' A' ' 90' ' ' THR . 1.6 tt0 -68.04 -45.11 74.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.246 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.1 t -59.78 -38.82 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.263 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.437 ' O ' ' NE2' ' A' ' 133' ' ' GLN . 22.8 t -54.34 -21.29 9.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.049 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.9 m -64.64 -40.11 94.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 82.66 1.12 90.5 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.454 1.096 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -97.17 17.55 16.94 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.583 0.814 . . . . 0.0 109.339 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.428 ' CG2' ' OE2' ' A' ' 84' ' ' GLU . 6.1 p -108.59 -14.1 14.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.19 5.9 59.9 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.538 ' CD2' ' HB3' ' A' ' 80' ' ' PRO . 53.4 m-70 -73.04 151.58 41.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 0.799 . . . . 0.0 109.58 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 72' ' ' TYR . . . -126.57 154.98 43.16 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.536 1.147 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -74.35 112.36 10.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.65 153.93 51.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.669 HG12 ' HA ' ' A' ' 70' ' ' ALA . 15.9 m -142.99 141.78 26.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.657 ' HG2' ' HB3' ' A' ' 69' ' ' ALA . 0.7 OUTLIER -93.16 128.97 39.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.537 HG12 ' CG ' ' A' ' 59' ' ' PHE . 3.0 mp -117.03 129.82 72.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.809 HG22 ' CG1' ' A' ' 44' ' ' ILE . 87.9 t -114.36 99.96 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.252 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.693 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 8.0 p90 -123.15 175.15 6.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.55 133.5 20.15 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.196 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.02 9.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.802 . . . . 0.0 111.009 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.26 -19.46 17.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.0 t -103.67 -49.37 9.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.8 tt -121.84 155.14 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 p -114.83 148.41 38.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.083 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.523 ' CE1' ' HG3' ' A' ' 108' ' ' GLU . 51.5 p90 -50.31 -29.51 9.93 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.479 1.112 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.523 ' HG3' ' CE1' ' A' ' 107' ' ' TYR . 0.5 OUTLIER -72.73 -31.61 65.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -40.36 85.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.693 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 8.3 mt -69.62 -41.8 75.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.249 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.24 -38.29 90.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.51 -54.2 26.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 1.107 HG11 HD11 ' A' ' 62' ' ' LEU . 21.7 t -63.01 -44.91 99.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.596 1.185 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.505 ' CE1' ' HG3' ' A' ' 49' ' ' MET . 32.4 t80 -51.63 -53.16 41.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.673 ' HH2' HG21 ' A' ' 171' ' ' THR . 42.4 m95 -67.19 -24.78 65.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 107.981 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -70.62 -32.15 69.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -103.9 4.35 34.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -72.37 160.53 32.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.613 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -99.16 144.91 29.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 160.33 40.12 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 167' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.332 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 86' ' ' SER . 6.4 mt-30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 32.5 p90 -86.17 125.13 33.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.3 173.63 11.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 171' ' ' THR . 14.2 p -111.06 98.57 7.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.079 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.617 ' H ' ' HB3' ' A' ' 48' ' ' ALA . . . -129.16 162.6 27.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.58 HG22 ' HD3' ' A' ' 140' ' ' PRO . 4.4 mt -125.47 126.98 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.364 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.554 ' CD2' HG22 ' A' ' 46' ' ' ILE . 80.9 m-85 -122.72 77.59 48.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.829 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.3 Cg_endo -75.04 162.74 36.54 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.521 1.801 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.522 HD22 ' HB3' ' A' ' 176' ' ' ALA . 0.2 OUTLIER -114.66 -10.11 12.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.47 HG23 ' CG ' ' A' ' 145' ' ' GLN . 0.3 OUTLIER -120.58 151.84 54.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.456 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 143' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 142' ' ' THR . 18.4 Cg_endo -74.96 -37.86 1.86 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.25 -48.75 78.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.356 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.47 ' CG ' HG23 ' A' ' 142' ' ' THR . 1.9 pt20 -69.82 -31.55 69.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.259 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.18 -44.97 92.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -69.88 -36.93 75.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -68.6 -43.98 75.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.03 -59.08 5.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -32.34 70.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -62.25 -43.89 97.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 109.238 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.7 p -75.57 -42.03 53.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.95 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.762 HD23 ' C ' ' A' ' 153' ' ' LEU . 0.6 OUTLIER -57.31 -51.37 69.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.689 ' N ' HD23 ' A' ' 153' ' ' LEU . 35.5 tp10 -60.7 -41.66 95.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -65.2 -43.03 92.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 115' ' ' TRP . 0.8 OUTLIER -60.41 -39.78 88.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 157' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 160' ' ' MET . 6.2 tt0 -65.32 -47.49 76.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.16 -30.97 67.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.79 77.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.524 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 9.9 ptm -67.92 -31.82 71.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.117 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.521 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -61.07 -38.6 86.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.66 -17.03 62.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 160' ' ' MET . . . -83.57 -0.93 52.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 5.5 t0 77.25 31.28 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -106.63 133.1 51.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.51 -11.19 27.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 167' ' ' ARG . . . . . 0.488 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 26.4 mmt-85 -72.6 69.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.238 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -65.71 145.73 55.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.103 . . . . 0.0 109.628 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.703 HD12 HG22 ' A' ' 171' ' ' THR . 2.1 pt -64.02 140.49 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 10.2 t -108.21 27.54 9.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.703 HG22 HD12 ' A' ' 169' ' ' ILE . 1.9 t -80.62 136.81 36.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.444 1.09 . . . . 0.0 110.37 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -120.04 139.26 52.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 173' ' ' ILE . . . . . 0.575 HD11 HD13 ' A' ' 153' ' ' LEU . 15.8 mt -106.97 121.75 60.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -136.93 161.74 35.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.356 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -41.22 159.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 176' ' ' ALA . . . . . 0.829 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -73.43 86.19 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 58.0 p -59.26 161.73 9.31 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 108.91 2.82 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.6 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.1 OUTLIER -76.84 145.08 38.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.32 112.77 19.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.732 ' HB3' HG21 ' A' ' 24' ' ' VAL . 43.5 m-85 -40.39 158.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.723 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -122.38 175.09 6.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -39.01 132.06 1.33 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.57 -24.13 19.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.78 -45.29 94.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -63.81 -38.79 92.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.588 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 0.598 ' OE1' ' HB3' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -53.88 109.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.52 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 10.0 mp0 54.82 56.82 6.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.518 ' HB3' ' CG ' ' A' ' 53' ' ' TRP . 9.0 t80 -84.04 -30.24 26.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.946 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.74 -46.38 46.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 1.03 ' CD2' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -60.35 -32.72 71.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.574 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.43 -47.78 82.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.1 OUTLIER -122.57 109.05 32.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 111.03 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.4 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 29.1 mtt -76.2 146.5 78.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 22' ' ' MET . 18.6 Cg_endo -74.98 130.03 12.91 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.446 1.761 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.416 HG21 ' CG ' ' A' ' 181' ' ' TYR . 26.6 t -113.46 132.99 60.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.51 167.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.7 m -83.28 -37.56 23.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.158 . . . . 0.0 110.398 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.475 ' CB ' ' C ' ' A' ' 33' ' ' HIS . 0.5 OUTLIER -129.88 161.71 30.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.479 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.8 t-80 -58.75 160.48 5.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.677 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.748 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -85.46 -34.02 21.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.479 ' HB ' ' CE1' ' A' ' 28' ' ' HIS . 44.2 t -87.61 -67.51 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.16 -38.64 65.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.77 32.04 61.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.475 ' C ' ' CB ' ' A' ' 27' ' ' LEU . 20.5 t60 -135.84 158.49 44.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 0.794 . . . . 0.0 109.627 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.1 p -39.44 143.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 110.013 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.99 -62.81 1.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.7 t -49.88 -44.63 50.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.447 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -54.46 134.95 46.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.376 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.497 HG22 HG11 ' A' ' 99' ' ' VAL . 2.6 t -137.93 116.08 9.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.404 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -74.97 139.6 24.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.528 1.804 . . . . 0.0 111.056 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.65 131.79 30.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.35 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.63 -4.88 32.73 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.474 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -106.91 165.26 11.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 0.807 . . . . 0.0 110.98 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -145.29 165.66 27.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.619 HG12 HG22 ' A' ' 99' ' ' VAL . 3.3 mt -109.31 155.44 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -146.67 138.55 24.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.638 HD12 ' HB1' ' A' ' 176' ' ' ALA . 12.0 mt -117.03 146.67 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.241 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.544 ' CD2' ' CE2' ' A' ' 114' ' ' PHE . 33.8 m-85 -155.06 155.94 34.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.462 ' HB2' ' HE2' ' A' ' 139' ' ' TYR . . . -131.13 116.3 17.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.803 ' HB3' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -126.17 149.94 48.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.971 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -37.83 -42.92 1.16 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.579 1.175 . . . . 0.0 110.979 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.5 m -105.16 179.76 4.18 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 2.4 p90 -146.79 -44.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 111.062 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 22.4 m0 -64.72 -46.05 83.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 107.954 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.97 -41.89 17.47 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.568 1.167 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.803 HG21 ' HB3' ' A' ' 49' ' ' MET . 83.2 t -63.18 -59.1 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 0.736 . . . . 0.0 109.256 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 20.0 tt0 -53.87 -35.06 61.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.535 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 34.5 ttp85 -65.57 -39.56 91.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.366 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.601 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -75.99 -20.94 57.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.722 ' CE2' HD13 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -77.44 -53.56 7.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.836 ' HA ' HG11 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -69.62 -12.7 61.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 107.983 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -85.77 -8.83 57.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 110.226 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.763 HD21 HG21 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -82.5 144.08 48.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.356 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.453 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.4 Cg_endo -75.03 113.17 3.73 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.0 -13.73 5.75 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.836 HG11 ' HA ' ' A' ' 60' ' ' TRP . 20.3 t -78.88 110.68 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.474 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 3.9 t80 -78.87 -51.91 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.971 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -140.23 146.81 39.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.46 156.14 42.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 110.435 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.05 158.19 32.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.607 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -125.92 134.88 51.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -153.47 -164.92 13.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.422 1.076 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -137.3 160.23 39.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 0.779 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.0 t -169.36 172.21 7.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.358 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.68 -19.24 55.51 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.24 -178.93 49.71 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.412 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 13.8 t80 -112.53 -19.1 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.401 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 21.6 m -74.99 117.84 65.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.415 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 150.22 37.53 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.451 1.764 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.428 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 27.9 m-20 42.67 64.0 6.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.452 ' HB2' ' CG2' ' A' ' 85' ' ' VAL . 18.4 Cg_endo -74.92 151.93 40.53 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.526 1.803 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.6 m -111.41 153.33 26.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.449 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -52.62 -39.66 61.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -69.05 -39.68 79.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.321 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -72.75 -44.73 61.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.452 ' CG2' ' HB2' ' A' ' 80' ' ' PRO . 50.6 t -61.77 -38.33 80.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.5 t -69.44 -25.85 64.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.592 1.182 . . . . 0.0 110.028 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.67 -33.97 71.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.954 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.46 14.5 61.67 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -99.03 16.25 23.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 0.756 . . . . 0.0 109.361 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.3 p -112.67 -25.0 9.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 110.331 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.69 16.83 68.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.401 ' NE2' ' O ' ' A' ' 77' ' ' THR . 28.6 m-70 -84.51 166.11 17.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 0.739 . . . . 0.0 109.591 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -125.61 167.71 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -85.37 124.69 32.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 110.355 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.81 164.27 32.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.607 HG12 ' HA ' ' A' ' 70' ' ' ALA . 1.7 m -144.42 146.22 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.654 ' HD3' HG23 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -101.35 136.74 40.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.722 HD13 ' CE2' ' A' ' 59' ' ' PHE . 4.7 mp -130.83 134.34 61.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.654 HG23 ' HD3' ' A' ' 97' ' ' ARG . 59.1 t -120.51 100.08 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -123.14 179.97 4.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.39 132.68 22.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.1 Cg_endo -75.04 -0.46 10.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.778 . . . . 0.0 111.028 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.15 -23.75 16.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.2 t -103.63 -37.93 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.635 HD13 ' N ' ' A' ' 106' ' ' SER . 0.2 OUTLIER -138.29 131.7 41.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.635 ' N ' HD13 ' A' ' 105' ' ' ILE . 3.9 p -92.98 154.28 18.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.021 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.482 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 10.4 p90 -62.89 -31.66 72.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.482 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 1.5 tt0 -59.1 -48.01 83.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.239 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.414 ' HB2' HD11 ' A' ' 105' ' ' ILE . 50.9 mt-30 -58.92 -41.25 86.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.249 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.541 ' HG ' HD12 ' A' ' 105' ' ' ILE . 46.5 mt -59.19 -46.95 87.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 87.8 mt -58.23 -40.43 81.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -41.86 84.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.15 . . . . 0.0 110.24 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.763 HG21 HD21 ' A' ' 62' ' ' LEU . 2.2 t -65.3 -53.35 41.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.605 ' CE2' ' SD ' ' A' ' 49' ' ' MET . 1.5 m-85 -56.15 -38.12 70.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.496 ' CH2' ' HB2' ' A' ' 156' ' ' PHE . 3.3 m95 -59.88 -29.54 68.39 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -86.79 -35.45 19.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.547 ' ND2' ' CD2' ' A' ' 58' ' ' LEU . 18.7 t-20 -87.43 5.79 37.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -69.42 155.98 39.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.637 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -105.05 158.48 31.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 160.18 40.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.518 1.799 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.679 ' HB2' HG22 ' A' ' 169' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.357 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -120.97 125.12 46.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -149.0 169.52 20.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.4 p -100.78 88.39 3.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.033 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -121.64 150.66 41.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.748 HG22 ' HD3' ' A' ' 140' ' ' PRO . 54.9 mt -113.94 132.64 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.503 ' CD2' HG22 ' A' ' 46' ' ' ILE . 84.6 m-85 -123.31 77.47 53.25 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.748 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.1 Cg_endo -75.1 169.8 21.79 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.433 1.754 . . . . 0.0 110.947 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.568 HD22 ' CB ' ' A' ' 176' ' ' ALA . 0.7 OUTLIER -112.54 -56.46 2.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 67.3 p -63.94 159.97 50.62 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.7 3.61 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.552 1.817 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.66 -47.63 68.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.418 ' HG3' ' CD1' ' A' ' 107' ' ' TYR . 34.6 tt0 -57.73 -38.33 75.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.252 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -45.81 91.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -72.2 -41.32 67.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -56.59 -52.65 64.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.9 -54.68 41.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.227 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.95 -44.72 82.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.1 -39.84 69.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.6 p -78.0 -34.14 50.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.771 HD23 ' C ' ' A' ' 153' ' ' LEU . 2.3 tt -64.74 -53.14 51.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.62 -20.0 62.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.6 -47.96 7.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.496 ' HB2' ' CH2' ' A' ' 115' ' ' TRP . 13.1 t80 -50.32 -55.81 13.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' GLN . . . . . 0.463 ' O ' ' CG ' ' A' ' 160' ' ' MET . 12.1 pt20 -59.33 -36.24 75.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.42 -32.1 68.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.16 77.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 7.6 ptm -68.02 -32.76 73.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.483 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.0 OUTLIER -60.96 -41.98 97.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.94 -22.01 66.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.443 ' HB3' ' OD1' ' A' ' 165' ' ' ASP . . . -84.14 -0.48 52.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 109.357 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.9 OUTLIER 77.44 33.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 165' ' ' ASP . . . . . 0.443 ' OD1' ' HB3' ' A' ' 163' ' ' ALA . 43.3 m-20 -106.28 127.1 52.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -99.12 -3.29 34.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -81.83 80.87 8.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -80.1 143.25 34.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.627 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.679 HG22 ' HB2' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -80.26 131.38 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 4.1 t -77.65 54.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.533 HG23 ' CD1' ' A' ' 153' ' ' LEU . 14.9 t -91.69 124.88 36.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.446 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -121.46 139.5 53.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 19.5 mt -118.35 129.44 74.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.85 168.94 19.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -44.69 166.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 109.346 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 176' ' ' ALA . . . . . 0.638 ' HB1' HD12 ' A' ' 46' ' ' ILE . . . -89.33 85.51 6.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 20.7 p -59.94 161.77 11.41 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.408 1.067 . . . . 0.0 110.36 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 108.67 2.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 97' ' ' ARG . 4.1 p90 -83.36 145.25 29.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.63 118.75 37.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.416 ' CG ' HG21 ' A' ' 24' ' ' VAL . 56.9 m-85 -44.78 143.03 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -98.62 173.45 6.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -44.88 126.53 5.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -49.06 -24.83 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -45.83 75.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -72.59 -45.09 60.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.413 1.07 . . . . 0.0 109.591 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 0.448 ' C ' ' HG2' ' A' ' 188' ' ' GLN . 0.4 OUTLIER -47.95 122.09 4.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.264 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.748 ' OE1' ' HB3' ' A' ' 29' ' ' ALA . 4.0 pt20 40.47 57.86 2.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 110.308 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 189' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -85.07 -34.32 22.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 190' ' ' LEU . 6.7 tp -66.2 -23.71 66.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.689 ' NE2' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -56.95 -34.41 68.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.613 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -67.96 -41.4 82.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.14 103.13 18.48 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.369 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.452 1.764 . . . . 0.0 110.994 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.932 0 N-CA-C 111.1 -0.384 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.9 tpp -71.09 123.11 88.8 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.439 1.087 . . . . 0.0 111.038 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 126.17 9.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.64 HG21 ' HB3' ' A' ' 181' ' ' TYR . 3.8 t -128.07 133.7 66.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.08 152.24 0.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.768 HG22 HD13 ' A' ' 27' ' ' LEU . 1.3 m -83.14 -40.62 19.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.438 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.768 HD13 HG22 ' A' ' 26' ' ' THR . 0.1 OUTLIER -106.79 134.46 49.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.575 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 13.5 t-80 -46.95 149.26 0.91 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.493 1.12 . . . . 0.0 109.573 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.668 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -80.65 -25.91 38.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.07 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 1.09 HG11 ' CE2' ' A' ' 60' ' ' TRP . 80.6 t -95.56 -67.63 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -53.71 -40.57 66.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 73.11 32.1 60.89 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.439 1.087 . . . . 0.0 111.071 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.53 170.82 15.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.776 . . . . 0.0 109.638 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 m -39.52 135.25 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.32 -56.39 2.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 111.097 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.2 p -70.14 -53.95 15.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.432 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -55.73 124.89 18.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.348 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.583 HG21 HD11 ' A' ' 44' ' ' ILE . 4.8 t -119.5 127.85 26.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 146.35 32.86 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.529 1.805 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.53 134.16 53.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.56 -14.53 32.57 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.54 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -104.48 164.53 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 110.99 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -141.74 161.63 37.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.74 ' CG1' HG22 ' A' ' 99' ' ' VAL . 3.2 mt -110.49 155.54 11.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -149.98 130.07 13.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.63 HG22 ' CD2' ' A' ' 139' ' ' TYR . 15.7 mt -95.9 142.7 13.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.397 1.061 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -152.96 143.35 22.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.052 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.14 130.34 51.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.709 ' CB ' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -137.6 -172.85 3.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 111.063 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -67.87 -78.53 0.28 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.525 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -93.03 82.04 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.687 ' CZ ' ' CD1' ' A' ' 53' ' ' TRP . 8.5 p90 -53.06 -19.82 3.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.687 ' CD1' ' CZ ' ' A' ' 52' ' ' PHE . 4.2 m0 -65.01 -48.54 73.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 108.032 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.673 ' HA2' HD23 ' A' ' 190' ' ' LEU . . . -73.93 -42.47 37.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.709 HG21 ' CB ' ' A' ' 49' ' ' MET . 21.9 t -57.65 -61.84 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.81 -37.15 29.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.181 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.456 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 4.0 ttp-105 -73.59 -41.19 63.18 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.578 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -68.45 -34.61 76.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.576 ' CD1' HG12 ' A' ' 98' ' ' ILE . 0.7 OUTLIER -60.24 -63.63 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.942 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 1.09 ' CE2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -56.75 -53.01 62.7 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.551 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 6.2 mm100 -48.75 -22.39 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.888 HD11 HG21 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -73.79 138.76 76.77 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.497 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.02 109.53 2.95 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.515 1.797 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 134.69 -19.01 4.03 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.527 1.142 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.0 t -90.86 125.95 43.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 0.768 . . . . 0.0 109.312 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.54 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -75.2 -57.19 4.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m -158.26 165.22 35.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.402 HG22 ' HA ' ' A' ' 98' ' ' ILE . 37.1 p -133.65 163.2 29.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.473 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.917 ' HB1' ' CE1' ' A' ' 181' ' ' TYR . . . -142.67 121.64 12.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.878 ' HB3' ' OE1' ' A' ' 187' ' ' GLN . . . -88.73 129.0 35.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.492 ' N ' ' NH2' ' A' ' 97' ' ' ARG . . . -150.33 -166.6 13.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.963 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.559 ' CE1' HG11 ' A' ' 85' ' ' VAL . 98.9 m-85 -127.37 154.24 45.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 0.782 . . . . 0.0 111.045 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.6 t -161.16 158.03 26.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.0 -15.18 59.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.454 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -86.75 171.3 43.01 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 11.2 m-85 -113.78 -22.13 10.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 0.749 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.9 m -77.83 125.27 85.85 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.409 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.6 Cg_endo -74.9 161.81 38.38 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.535 1.808 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.413 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 4.9 m120 40.3 64.24 4.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.458 ' HB2' ' CG2' ' A' ' 85' ' ' VAL . 18.4 Cg_endo -74.92 148.52 35.79 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.578 1.83 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 85' ' ' VAL . 39.3 m -107.96 163.21 13.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.457 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -62.02 -46.58 88.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -40.89 67.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -62.89 -45.14 93.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.252 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 81' ' ' THR . 47.3 t -64.45 -40.67 89.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.33 -25.73 36.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.989 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -37.08 81.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.462 ' CA ' ' OE1' ' A' ' 133' ' ' GLN . . . 81.04 14.74 78.77 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.412 1.07 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -89.19 -12.65 40.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 0.78 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 67.5 p -89.6 -25.6 21.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.362 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.84 17.17 70.86 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.454 ' CG ' ' HA3' ' A' ' 75' ' ' GLY . 60.6 m-70 -80.71 142.6 33.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 109.599 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.52 163.77 14.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.94 113.28 20.43 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.84 162.55 29.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.685 HG23 HD11 ' A' ' 98' ' ' ILE . 27.0 m -140.67 164.94 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.865 ' C ' HD12 ' A' ' 98' ' ' ILE . 0.7 OUTLIER -113.25 142.83 45.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.865 HD12 ' C ' ' A' ' 97' ' ' ARG . 3.3 mp -131.29 115.23 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.74 HG22 ' CG1' ' A' ' 44' ' ' ILE . 93.0 t -113.04 99.76 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.644 ' HD2' HG22 ' A' ' 98' ' ' ILE . 51.2 p90 -128.05 176.87 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.24 135.87 19.27 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -2.99 13.26 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.436 1.756 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.85 -21.49 15.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.041 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 80.1 t -97.69 -49.85 11.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.527 HG23 ' CD1' ' A' ' 100' ' ' TYR . 2.0 tt -123.77 149.68 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.0 p -106.37 152.85 23.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.96 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 32.2 p90 -60.14 -31.37 70.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.457 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -61.22 -39.89 91.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.283 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -66.7 -46.67 74.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.638 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 25.4 mt -55.95 -49.58 73.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.22 -44.77 96.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -56.84 -50.86 71.15 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.888 HG21 HD11 ' A' ' 62' ' ' LEU . 1.8 t -60.03 -50.57 79.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.424 ' O ' ' N ' ' A' ' 118' ' ' HIS . 4.4 t80 -54.49 -50.0 68.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 1.076 . . . . 0.0 110.966 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.493 ' HB3' ' CE1' ' A' ' 156' ' ' PHE . 71.4 m95 -65.29 -21.68 66.75 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -85.57 -26.96 25.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 113' ' ' VAL . 8.9 t-20 -104.23 4.34 33.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.585 1.178 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -72.47 169.29 16.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.606 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.46 147.77 38.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 157.29 42.64 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.255 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.462 ' OE1' ' CA ' ' A' ' 88' ' ' GLY . 25.2 mm100 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.519 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 35.4 p90 -85.97 128.07 34.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -146.01 168.03 21.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.248 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.6 m -111.0 131.94 54.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.032 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -163.4 150.8 12.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.231 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.429 HG22 ' HD3' ' A' ' 140' ' ' PRO . 8.0 mt -110.74 131.15 62.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.63 ' CD2' HG22 ' A' ' 46' ' ' ILE . 91.2 m-85 -126.63 79.13 71.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.429 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.2 Cg_endo -74.98 169.89 21.62 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.504 1.792 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.487 ' HA ' HD13 ' A' ' 141' ' ' LEU . 1.1 mm? -118.59 -45.54 2.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 67.7 p -81.15 160.93 64.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.444 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -34.55 3.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.535 1.808 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.05 -42.94 83.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -58.8 -45.7 89.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -45.21 87.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.36 -41.3 96.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.387 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -67.57 -42.82 81.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.89 -58.0 9.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 151' ' ' ALA . 14.2 ptt180 -59.41 -31.95 69.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.228 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.406 ' N ' ' HG3' ' A' ' 150' ' ' ARG . . . -62.38 -43.83 97.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 91.9 p -69.53 -49.06 57.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 4.7 tt -53.81 -53.05 57.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -55.67 -30.97 61.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -81.07 -35.93 31.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.282 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 115' ' ' TRP . 0.3 OUTLIER -75.48 -46.89 29.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.974 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.77 -35.08 77.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.4 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -70.08 -45.98 65.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.81 -45.36 94.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -59.45 -46.9 87.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -31.9 72.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.14 -18.66 63.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.45 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -80.33 -4.88 55.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.609 1.193 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 5.7 t70 77.68 21.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.406 1.066 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.2 136.47 40.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.65 12.29 28.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.18 81.93 5.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 110.25 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -72.86 144.3 47.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.639 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.1 mp -67.57 142.08 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 9.5 t -87.92 41.93 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 110.434 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.444 HG21 ' CH2' ' A' ' 115' ' ' TRP . 8.6 m -94.07 124.84 38.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 110.38 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -122.17 140.01 53.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.234 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 23.2 mt -111.72 121.18 63.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.247 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -149.34 164.61 34.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -42.15 162.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 176' ' ' ALA . . . . . 0.408 ' HB1' HD12 ' A' ' 46' ' ' ILE . . . -85.43 83.43 7.94 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -60.61 163.14 9.71 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.61 1.194 . . . . 0.0 110.412 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 131.42 14.2 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.778 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.656 ' CD2' ' NE ' ' A' ' 97' ' ' ARG . 17.9 p90 -100.2 144.9 28.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -104.75 106.22 16.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.917 ' CE1' ' HB1' ' A' ' 69' ' ' ALA . 0.6 OUTLIER -38.16 143.76 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 111.031 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.466 ' O ' ' CG2' ' A' ' 24' ' ' VAL . . . -103.35 174.04 6.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -46.3 143.98 2.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 13.0 p30 -64.31 -22.81 67.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -64.97 -38.68 91.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -69.02 -40.12 78.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.589 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 0.878 ' OE1' ' HB3' ' A' ' 70' ' ' ALA . 2.6 mp0 -49.01 116.37 1.64 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.759 ' HG2' HG23 ' A' ' 30' ' ' VAL . 10.2 mp0 46.34 54.53 8.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.27 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.418 ' CD1' ' C ' ' A' ' 189' ' ' TYR . 6.4 t80 -85.34 -31.19 23.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 111.049 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.673 HD23 ' HA2' ' A' ' 54' ' ' GLY . 8.2 tp -76.22 -39.92 53.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.544 ' CG ' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -56.46 -30.66 63.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.631 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -65.8 -38.17 88.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -138.35 101.15 8.34 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.464 1.771 . . . . 0.0 110.992 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.435 ' HA ' ' ND2' ' A' ' 79' ' ' ASN . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 110.981 -0.43 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.04 145.18 73.21 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 131.63 14.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.481 HG21 ' HB3' ' A' ' 181' ' ' TYR . 42.4 t -121.52 128.21 75.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.79 150.27 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.522 HG22 HD13 ' A' ' 27' ' ' LEU . 22.3 m -77.36 -44.42 29.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.445 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.522 HD13 HG22 ' A' ' 26' ' ' THR . 0.2 OUTLIER -106.01 134.2 49.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.569 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 15.2 t-80 -48.95 155.16 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 109.63 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.429 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -84.3 -27.79 27.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 1.057 HG11 ' CD2' ' A' ' 60' ' ' TRP . 43.1 t -91.21 -68.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -54.5 -39.98 68.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.17 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.25 23.33 76.09 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -132.78 170.92 14.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 0.725 . . . . 0.0 109.587 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -39.14 138.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.067 . . . . 0.0 110.007 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.65 -65.02 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.7 p -63.55 -51.74 64.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -54.92 129.22 36.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.773 HG21 HD11 ' A' ' 44' ' ' ILE . 2.5 t -126.16 115.59 23.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 147.13 33.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.413 1.743 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.11 131.01 36.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.4 -4.45 31.28 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.477 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -111.7 150.36 30.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 0.767 . . . . 0.0 111.045 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 0.8 OUTLIER -127.73 165.33 20.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.773 HD11 HG21 ' A' ' 38' ' ' VAL . 3.2 mt -121.69 155.58 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -149.66 145.28 26.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.397 1.061 . . . . 0.0 109.299 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 93.5 mt -118.97 128.43 75.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.246 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -137.92 151.49 48.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.525 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -130.46 121.19 25.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.606 ' CB ' HG21 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -137.39 155.21 49.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 111.031 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.56 -75.45 0.15 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.801 ' O ' HG23 ' A' ' 55' ' ' VAL . 4.1 p -76.59 59.4 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.491 ' CD1' ' N ' ' A' ' 53' ' ' TRP . 9.0 p90 -50.81 -37.37 42.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.796 ' CH2' ' CD1' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -61.94 -51.01 69.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 108.046 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.487 ' HA2' ' CD1' ' A' ' 190' ' ' LEU . . . -70.99 -31.6 66.73 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.031 ' HA ' HD23 ' A' ' 58' ' ' LEU . 73.2 t -65.14 -54.0 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 0.8 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -40.72 51.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.495 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 1.4 ttt180 -68.36 -36.72 79.62 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.396 1.06 . . . . 0.0 110.37 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.031 HD23 ' HA ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -71.78 -33.63 68.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.542 ' CG ' HG12 ' A' ' 98' ' ' ILE . 1.0 OUTLIER -60.01 -63.61 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 110.973 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 1.057 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -56.58 -49.79 73.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 108.026 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.612 ' OE1' ' CZ2' ' A' ' 60' ' ' TRP . 11.4 mm100 -51.52 -20.34 1.86 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.587 1.179 . . . . 0.0 110.228 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.594 HD11 HG21 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -76.99 140.35 66.54 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.498 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.04 111.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.91 -17.18 4.65 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.415 1.072 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 60' ' ' TRP . 27.2 t -89.52 121.11 39.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.477 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 1.1 t80 -78.1 -56.2 4.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.0 m -148.23 165.65 30.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.49 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 82.7 p -144.65 167.3 22.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.433 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.458 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -155.71 130.07 8.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.587 ' HA ' HG22 ' A' ' 96' ' ' VAL . . . -91.41 132.65 36.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' ALA . . . -158.23 -161.43 10.99 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.524 ' N ' ' CD1' ' A' ' 72' ' ' TYR . 0.6 OUTLIER -146.0 160.69 41.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 0.739 . . . . 0.0 110.978 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.491 ' OG1' ' CG2' ' A' ' 177' ' ' THR . 6.0 t -166.44 170.9 12.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.355 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.11 -18.89 56.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.576 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -79.69 -169.67 38.9 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -115.06 -31.39 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 0.728 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.404 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 4.2 m -74.56 124.47 89.78 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.567 1.167 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.87 147.5 34.64 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.08 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.435 ' ND2' ' HA ' ' A' ' 21' ' ' PRO . 13.5 t-20 49.7 65.23 7.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.45 ' HB2' ' CG2' ' A' ' 85' ' ' VAL . 18.3 Cg_endo -74.95 158.48 42.38 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.429 1.752 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.69 ' O ' HG23 ' A' ' 85' ' ' VAL . 20.5 m -116.43 158.34 23.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.438 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -65.44 -29.6 70.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -51.48 55.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 14.3 pt-20 -73.57 -44.5 57.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 81' ' ' THR . 52.3 t -55.52 -38.68 50.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.174 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.1 t -56.2 -34.06 65.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.66 -39.43 84.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.015 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.07 15.14 63.23 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -95.06 19.31 10.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 0.816 . . . . 0.0 109.347 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.6 p -115.14 -12.77 11.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.341 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.79 6.2 58.94 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.576 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 26.4 m-70 -79.77 154.5 28.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.784 . . . . 0.0 109.6 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -121.38 163.36 18.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.525 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 3.1 mm-40 -82.05 112.13 18.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 71' ' ' GLY . . . -131.5 153.31 49.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.363 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 70' ' ' ALA . 71.8 t -137.61 141.52 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.564 ' HB2' ' CE1' ' A' ' 179' ' ' PHE . 27.3 ttp180 -92.31 136.83 32.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 110.234 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.542 HG12 ' CG ' ' A' ' 59' ' ' PHE . 3.3 mp -128.17 121.79 56.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.657 HG22 HG12 ' A' ' 44' ' ' ILE . 48.9 t -109.14 101.13 12.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.554 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 8.1 p90 -125.75 170.32 11.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -104.21 134.82 19.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.05 -1.27 11.02 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.18 -13.66 23.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.979 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.9 t -114.03 -48.49 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.536 HG23 ' CD1' ' A' ' 100' ' ' TYR . 4.9 tp -123.24 142.15 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.589 1.181 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.2 p -109.19 157.74 18.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.033 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.565 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 4.8 p90 -61.38 -30.69 70.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.565 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.6 tt0 -66.67 -33.53 75.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -75.29 -45.39 40.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.554 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 46.7 mt -56.84 -41.57 78.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.547 ' HB3' ' CZ2' ' A' ' 115' ' ' TRP . 18.3 mt -68.63 -44.87 73.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -53.74 -45.61 70.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.594 HG21 HD11 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -70.32 -39.2 76.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.41 ' HA ' ' HE1' ' A' ' 49' ' ' MET . 12.4 t80 -56.74 -37.79 71.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.547 ' CZ2' ' HB3' ' A' ' 111' ' ' LEU . 5.8 m0 -71.58 -17.73 62.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -84.12 -35.35 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 0.0 110.249 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.651 HD22 HD22 ' A' ' 58' ' ' LEU . 4.0 t-20 -91.06 -21.35 21.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.083 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.6 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 13.1 t-80 -65.43 146.57 54.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.619 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.6 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 3.5 m-20 -107.48 152.22 41.26 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 173.03 15.22 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.748 ' HB2' HG13 ' A' ' 169' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.413 1.071 . . . . 0.0 109.3 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 94' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -87.09 39.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.21 150.95 38.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.5 p -102.23 121.91 43.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.97 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.457 ' H ' ' HB3' ' A' ' 48' ' ' ALA . . . -151.07 162.13 41.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.498 HG22 ' HD3' ' A' ' 140' ' ' PRO . 44.7 mt -120.88 132.84 69.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.083 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -126.46 81.23 68.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.498 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.2 Cg_endo -74.97 168.17 25.44 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.792 . . . . 0.0 110.964 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.9 mp -116.14 -37.99 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 64.3 p -90.15 159.15 42.9 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.401 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -36.15 2.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -64.24 -37.74 88.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -71.48 -32.22 68.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -47.12 70.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -59.19 -40.86 87.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.3 -43.15 67.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.02 -58.98 6.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -59.16 -31.09 68.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -63.42 -35.6 80.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.521 ' OG ' ' CZ2' ' A' ' 115' ' ' TRP . 1.4 m -65.22 -42.52 93.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.52 HD23 ' C ' ' A' ' 153' ' ' LEU . 8.0 tt -61.62 -42.45 98.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -62.42 -45.57 92.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.358 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -70.45 -31.95 69.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.78 -41.28 92.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' GLN . . . . . 0.447 ' O ' ' CG ' ' A' ' 160' ' ' MET . 17.7 tt0 -65.59 -45.03 84.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.319 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.08 -31.72 68.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.251 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.4 -48.77 76.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.48 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 3.1 ptt? -68.11 -32.95 73.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.48 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.0 OUTLIER -60.93 -43.42 98.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.59 -22.15 66.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 1.073 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -80.89 -6.1 58.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.4 OUTLIER 75.4 29.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -116.0 108.66 16.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.166 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -87.56 47.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' ARG . . . . . 0.478 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 0.1 OUTLIER -119.58 93.82 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.364 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.63 145.78 53.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.601 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.748 HG13 ' HB2' ' A' ' 121' ' ' ALA . 2.9 mp -82.31 149.91 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 20.0 m -91.16 43.13 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.474 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.4 m -91.31 124.77 35.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.574 1.172 . . . . 0.0 110.397 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.67 145.81 49.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 6.1 mt -119.49 127.02 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -142.64 165.2 28.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -48.97 162.22 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.42 1.075 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -87.41 82.07 7.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 177' ' ' THR . . . . . 0.491 ' CG2' ' OG1' ' A' ' 73' ' ' THR . 0.5 OUTLIER -71.62 161.62 77.55 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.444 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 98.71 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.573 1.828 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 0.4 OUTLIER -77.51 145.31 37.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -89.8 126.45 35.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.481 ' HB3' HG21 ' A' ' 24' ' ' VAL . 32.3 m-85 -48.07 170.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -118.17 174.73 6.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -50.82 141.53 13.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -59.99 -28.8 68.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -35.73 81.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.241 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -79.33 -35.03 41.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -50.1 112.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.449 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 7.2 mp0 45.54 56.73 5.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.796 ' CD1' ' CH2' ' A' ' 53' ' ' TRP . 13.1 t80 -85.46 -32.31 22.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.045 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.487 ' CD1' ' HA2' ' A' ' 54' ' ' GLY . 0.4 OUTLIER -73.73 -34.69 64.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -31.27 63.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.652 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -66.32 -27.18 67.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -136.97 97.87 10.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.475 1.777 . . . . 0.0 111.036 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.444 ' HA ' ' OD1' ' A' ' 79' ' ' ASN . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 111.036 -0.409 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.0 mtp -70.56 150.67 95.55 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 124.8 8.89 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.443 1.759 . . . . 0.0 111.054 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.693 HG21 ' HB3' ' A' ' 181' ' ' TYR . 49.8 t -137.46 140.01 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.38 150.46 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.771 HG22 HD13 ' A' ' 27' ' ' LEU . 2.3 m -77.45 -42.81 34.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.771 HD13 HG22 ' A' ' 26' ' ' THR . 0.1 OUTLIER -107.93 131.81 54.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.561 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 15.4 t-80 -50.71 155.93 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 109.609 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.452 ' HB3' ' CB ' ' A' ' 188' ' ' GLN . . . -84.9 -27.39 26.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 1.043 HG11 ' CD2' ' A' ' 60' ' ' TRP . 51.9 t -91.8 -67.4 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 11.6 t30 -55.83 -40.34 72.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.2 20.04 70.7 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.568 1.168 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -134.15 170.26 15.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 0.738 . . . . 0.0 109.592 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' HIS . 11.4 m -39.38 145.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.18 -38.86 9.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 t -90.73 20.34 4.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 110.384 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -93.94 127.35 39.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.625 HG22 HG11 ' A' ' 99' ' ' VAL . 17.4 t -137.58 99.78 9.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 134.92 18.31 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.65 125.1 2.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.29 1.01 31.31 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.443 1.089 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.449 ' HE2' ' OD1' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -104.09 165.64 10.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 0.747 . . . . 0.0 110.979 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.62 152.61 42.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.919 ' O ' HD12 ' A' ' 141' ' ' LEU . 3.2 mt -104.95 148.98 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.652 ' HB1' ' HE1' ' A' ' 47' ' ' PHE . . . -138.11 131.92 31.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.889 HG21 ' CE2' ' A' ' 179' ' ' PHE . 97.1 mt -120.52 135.19 61.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.652 ' HE1' ' HB1' ' A' ' 45' ' ' ALA . 78.5 m-85 -146.38 165.33 29.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 136' ' ' SER . . . -139.41 133.04 30.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 109.227 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.654 ' HB2' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -149.42 -172.25 4.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' PHE . . . -69.96 -80.97 0.25 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.893 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -62.08 82.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.842 ' CZ ' ' HB1' ' A' ' 70' ' ' ALA . 73.7 t80 -61.34 -28.15 69.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.475 ' HB3' HD23 ' A' ' 190' ' ' LEU . 8.3 m0 -82.39 -40.43 21.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 107.982 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.23 -28.37 62.19 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.491 1.12 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 51' ' ' CYS . 42.9 t -66.31 -60.36 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 0.785 . . . . 0.0 109.279 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 59' ' ' PHE . 12.5 pt-20 -49.24 -38.76 27.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.536 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 7.6 mmp_? -70.46 -38.47 74.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 110.307 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.638 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -65.87 -20.12 66.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.582 ' O ' HG21 ' A' ' 65' ' ' VAL . 2.1 m-85 -81.94 -53.73 5.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 1.043 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -70.19 -50.98 34.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 108.006 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.593 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 5.9 mm100 -50.34 -20.79 1.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.635 HD23 HG23 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -81.09 139.81 49.4 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.4 Cg_endo -74.93 108.6 2.75 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.469 1.773 . . . . 0.0 111.072 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.496 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 139.07 -21.83 2.96 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.635 HG23 HD23 ' A' ' 62' ' ' LEU . 41.4 t -85.99 123.07 39.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.404 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 9.1 t80 -81.18 -55.28 4.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 m -147.23 165.81 28.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.704 HG22 HG23 ' A' ' 98' ' ' ILE . 26.5 p -147.97 160.82 42.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.404 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.553 ' HB3' ' CG ' ' A' ' 97' ' ' ARG . . . -148.8 142.65 25.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.842 ' HB1' ' CZ ' ' A' ' 52' ' ' PHE . . . -102.16 127.43 49.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 95' ' ' ALA . . . -141.81 -170.77 12.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.145 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.609 ' CE1' HG11 ' A' ' 85' ' ' VAL . 93.0 m-85 -124.96 153.76 42.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.581 HG21 ' CZ ' ' A' ' 179' ' ' PHE . 8.8 t -153.19 162.07 41.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.449 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.61 -11.84 54.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 111.043 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.566 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -80.72 169.47 52.27 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -114.76 -18.92 11.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.483 ' CG2' ' HB3' ' A' ' 80' ' ' PRO . 94.8 m -77.92 131.03 71.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.358 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.4 Cg_endo -75.02 119.33 5.6 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.508 1.794 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.444 ' OD1' ' HA ' ' A' ' 21' ' ' PRO . 45.0 m-80 40.01 65.68 3.66 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.564 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.97 177.34 8.71 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.556 1.819 . . . . 0.0 111.06 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.45 ' OG1' ' CB ' ' A' ' 84' ' ' GLU . 71.8 p -95.39 152.73 18.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.356 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -54.16 -45.42 72.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.159 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -35.29 79.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.482 ' HG2' ' CG2' ' A' ' 90' ' ' THR . 38.6 tt0 -72.36 -34.02 67.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.434 1.084 . . . . 0.0 110.278 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.609 HG11 ' CE1' ' A' ' 72' ' ' TYR . 3.2 t -70.09 -40.01 77.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.3 p -63.96 -27.44 69.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 53.7 m -62.47 -36.26 81.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.36 15.76 61.65 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -91.89 -0.26 57.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.482 ' CG2' ' HG2' ' A' ' 84' ' ' GLU . 12.4 p -108.26 -25.32 11.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.38 25.04 69.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.566 ' CG ' ' HA3' ' A' ' 75' ' ' GLY . 29.7 m-70 -83.09 145.8 29.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 0.774 . . . . 0.0 109.648 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -116.6 159.17 22.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.58 ' CG ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -76.76 111.04 11.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 110.253 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 71' ' ' GLY . . . -142.77 151.13 40.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.709 ' CG1' ' CE1' ' A' ' 52' ' ' PHE . 10.4 m -142.38 149.2 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.553 ' CG ' ' HB3' ' A' ' 69' ' ' ALA . 0.5 OUTLIER -103.8 144.85 30.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.704 HG23 HG22 ' A' ' 68' ' ' THR . 4.5 mp -134.15 134.13 55.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.826 HG22 ' CG1' ' A' ' 44' ' ' ILE . 88.2 t -113.46 102.49 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.346 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -120.47 179.54 4.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.449 ' OD1' ' HE2' ' A' ' 42' ' ' MET . 0.5 OUTLIER -105.82 131.27 21.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -3.14 13.49 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.519 1.799 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 t -95.21 -26.87 15.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.496 HG11 ' HA2' ' A' ' 64' ' ' GLY . 84.4 t -85.65 -49.14 15.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.576 ' CD1' HD21 ' A' ' 62' ' ' LEU . 14.8 tt -131.64 155.61 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 92.9 p -101.09 152.06 21.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.04 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.605 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 25.3 p90 -56.73 -37.37 70.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.657 ' HA ' HD12 ' A' ' 111' ' ' LEU . 20.4 pt-20 -61.82 -39.45 91.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -59.58 -47.03 87.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.249 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 18.6 mt -59.74 -39.84 86.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.657 HD12 ' HA ' ' A' ' 108' ' ' GLU . 4.5 mt -69.86 -29.43 66.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.235 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.544 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 2.9 tt0 -58.1 -50.87 71.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.447 HG22 ' OD1' ' A' ' 117' ' ' ASN . 0.6 OUTLIER -73.03 -34.39 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.774 ' CE2' HD11 ' A' ' 138' ' ' ILE . 87.0 t80 -54.13 -38.06 65.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.178 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.544 ' CE3' ' HA ' ' A' ' 112' ' ' GLN . 3.9 m0 -74.72 -25.96 59.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 108.05 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -80.88 -36.05 31.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.463 ' HB2' ' CE ' ' A' ' 49' ' ' MET . 34.2 m120 -93.59 5.34 51.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.444 ' CG ' ' N ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -72.65 171.75 11.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.603 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.444 ' N ' ' CG ' ' A' ' 118' ' ' HIS . 0.9 OUTLIER -114.8 146.27 35.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 156.5 42.7 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.811 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 167' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.425 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 25.7 p90 -117.97 127.72 54.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -144.35 128.35 17.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.085 . . . . 0.0 110.273 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 14.6 m -64.81 107.79 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -142.85 144.72 32.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.393 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.774 HD11 ' CE2' ' A' ' 114' ' ' PHE . 50.2 mt -110.07 132.95 56.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -126.92 80.84 70.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.528 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.4 Cg_endo -75.03 167.37 27.16 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.456 1.766 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.919 HD12 ' O ' ' A' ' 44' ' ' ILE . 7.1 mt -108.64 -56.7 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.4 p -76.68 163.99 62.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.411 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -35.55 3.05 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.546 1.814 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.89 -36.41 74.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.372 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.422 ' HG2' ' CB ' ' A' ' 107' ' ' TYR . 45.9 mt-30 -72.98 -43.98 61.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.72 -43.06 72.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.98 -50.21 43.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 109.332 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -55.97 -48.02 76.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.84 -58.46 7.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.367 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -56.05 -39.04 71.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.3 -45.5 80.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.515 ' CB ' ' CZ2' ' A' ' 115' ' ' TRP . 7.8 p -69.01 -42.15 76.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 0.0 109.957 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 153' ' ' LEU . 3.5 tt -58.68 -52.45 65.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.214 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.13 -29.89 70.65 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -75.93 -53.93 7.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.25 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -54.55 -46.37 73.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -59.39 -46.93 87.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 110.221 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.07 81.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.22 -43.6 95.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.515 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 9.8 ttp -62.58 -37.93 88.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -39.61 94.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.52 -20.26 64.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 160' ' ' MET . . . -77.15 -7.57 56.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.4 t70 81.79 24.87 0.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 109.255 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.05 122.13 45.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -92.24 7.54 42.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' ARG . . . . . 0.427 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 18.2 mtt180 -83.27 75.66 9.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.647 ' CE1' ' O ' ' A' ' 169' ' ' ILE . 6.8 t60 -61.72 140.44 58.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.565 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.655 HG22 HG23 ' A' ' 171' ' ' THR . 1.0 OUTLIER -79.29 142.47 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 1.5 t -92.81 56.24 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.655 HG23 HG22 ' A' ' 169' ' ' ILE . 5.4 p -90.41 124.72 35.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.409 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -121.68 133.46 54.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.36 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 21.6 mt -109.4 121.85 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -137.07 168.29 19.88 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -54.05 163.18 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -93.0 67.0 4.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 177' ' ' THR . . . . . 0.582 HG22 ' CE1' ' A' ' 179' ' ' PHE . 0.5 OUTLIER -59.6 163.95 6.2 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.404 1.065 . . . . 0.0 110.364 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 178' ' ' PRO . . . . . 0.404 ' HD2' ' OG1' ' A' ' 177' ' ' THR . 18.0 Cg_endo -75.0 105.68 2.13 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.44 1.758 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.889 ' CE2' HG21 ' A' ' 46' ' ' ILE . 10.7 m-30 -85.28 147.37 26.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.082 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 180' ' ' TYR . . . . . 0.409 ' O ' ' O ' ' A' ' 181' ' ' TYR . 59.8 m-85 -88.68 119.22 28.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.693 ' HB3' HG21 ' A' ' 24' ' ' VAL . 18.2 m-85 -46.51 174.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -118.55 173.99 6.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 183' ' ' GLU . . . . . 0.474 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 0.4 OUTLIER -42.55 132.55 3.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -55.39 -23.15 23.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.83 -44.01 82.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.339 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 186' ' ' HIS . . . . . 0.474 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 75.7 m-70 -68.48 -37.43 80.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.598 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 0.624 ' OE1' ' HB3' ' A' ' 70' ' ' ALA . 14.6 mm100 -49.47 108.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.349 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.452 ' CB ' ' HB3' ' A' ' 29' ' ' ALA . 4.8 mp0 59.49 44.96 14.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.554 ' C ' ' CD1' ' A' ' 189' ' ' TYR . 0.6 OUTLIER -85.14 -24.43 27.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.477 ' HA ' HD22 ' A' ' 190' ' ' LEU . 0.4 OUTLIER -74.58 -46.56 37.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.433 ' N ' ' HD2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -65.21 -29.03 69.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.574 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.87 -29.59 70.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.3 OUTLIER -139.05 108.72 7.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.415 1.745 . . . . 0.0 110.96 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.75 135.72 63.69 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.587 1.179 . . . . 0.0 110.959 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 127.12 10.44 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.461 1.769 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.6 HG21 ' HB3' ' A' ' 181' ' ' TYR . 91.0 t -116.13 127.52 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -40.66 154.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.626 ' C ' HD13 ' A' ' 27' ' ' LEU . 51.1 m -80.65 -45.16 17.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.572 1.17 . . . . 0.0 110.386 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.626 HD13 ' C ' ' A' ' 26' ' ' THR . 0.1 OUTLIER -112.78 148.77 34.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.57 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 20.6 t-80 -56.29 157.42 4.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.588 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.23 -25.91 27.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.948 HG11 ' CD2' ' A' ' 60' ' ' TRP . 45.8 t -95.11 -67.89 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 66' ' ' TYR . 1.4 t30 -56.31 -38.29 71.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.35 14.83 79.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.488 ' CG ' ' N ' ' A' ' 34' ' ' SER . 22.5 t60 -126.96 163.48 23.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.763 . . . . 0.0 109.573 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.488 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -42.72 131.54 3.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.1 ptm -99.59 -14.19 19.09 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.515 HG23 ' N ' ' A' ' 37' ' ' ASN . 8.9 t -96.36 -53.75 3.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.446 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.515 ' N ' HG23 ' A' ' 36' ' ' THR . 2.8 m-20 -55.02 133.4 48.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 1.04 HG21 HD11 ' A' ' 44' ' ' ILE . 78.8 t -122.85 102.86 37.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 40' ' ' ASP . 18.1 Cg_endo -75.02 139.68 24.5 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.557 1.82 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' PRO . 38.5 m-20 -40.04 125.39 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.574 1.171 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.26 2.82 29.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.626 1.204 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.3 mmt -114.79 151.57 33.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.578 0.81 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 2.5 mm-40 -135.8 150.17 49.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.344 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 1.04 HD11 HG21 ' A' ' 38' ' ' VAL . 3.7 mt -107.77 152.38 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.41 130.57 15.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 109.366 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.547 HG22 ' HD2' ' A' ' 139' ' ' TYR . 7.3 mt -109.39 138.08 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.499 ' CG ' ' CZ ' ' A' ' 114' ' ' PHE . 23.7 m-85 -149.54 165.03 33.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 111.048 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -133.71 127.84 33.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.573 ' HB3' HG21 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -139.28 158.31 44.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 110.943 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.0 -62.32 3.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.03 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.669 ' CB ' HG23 ' A' ' 55' ' ' VAL . 1.2 m -62.51 -179.63 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.566 ' CE1' ' HB1' ' A' ' 70' ' ' ALA . 5.0 t80 -145.51 -68.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.839 ' HE1' ' HD1' ' A' ' 186' ' ' HIS . 36.9 m0 -66.26 -34.73 78.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 107.987 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.06 -27.58 57.95 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.669 HG23 ' CB ' ' A' ' 51' ' ' CYS . 28.9 t -69.27 -62.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -38.84 39.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.486 ' CZ ' ' CD ' ' A' ' 61' ' ' GLN . 34.4 ttt85 -75.88 -24.69 55.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.334 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.3 -22.08 57.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.772 ' CE2' HD11 ' A' ' 98' ' ' ILE . 16.7 m-85 -82.65 -56.62 3.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.948 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -56.36 -55.66 30.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 108.065 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.553 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 3.7 mt-30 -49.22 -22.49 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.329 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.693 HD11 HG21 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -77.11 139.92 65.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.07 110.87 3.2 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.547 1.814 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.45 ' HA2' ' CG1' ' A' ' 104' ' ' VAL . . . 131.91 -17.0 4.96 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 38.0 t -90.45 125.97 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 4.5 t80 -81.19 -57.19 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.0 p -150.63 162.34 40.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.406 HG21 ' HB2' ' A' ' 59' ' ' PHE . 67.1 p -137.28 160.21 39.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.453 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' CE2' ' A' ' 179' ' ' PHE . . . -147.21 128.58 14.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.566 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -92.29 140.24 29.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.576 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -170.96 -157.34 12.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -140.87 153.65 45.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.781 HG23 ' HB3' ' A' ' 95' ' ' ALA . 3.2 p -147.04 174.53 11.46 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.44 1.087 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.31 -10.91 57.52 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.518 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -88.96 164.35 32.44 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -111.24 -20.85 12.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 22.2 m -74.79 127.39 87.15 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.466 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.3 Cg_endo -75.0 162.14 37.62 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.415 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 2.0 m120 40.44 64.64 4.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.538 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -75.05 129.93 12.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.482 ' O ' HG23 ' A' ' 85' ' ' VAL . 85.2 m -103.02 164.72 11.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.419 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -60.53 -39.03 86.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -45.69 61.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.14 -44.97 94.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.35 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 81' ' ' THR . 43.0 t -59.93 -39.84 81.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.2 m -62.18 -24.87 67.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.059 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.6 m -65.33 -38.2 89.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.031 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 82.42 5.63 89.38 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.91 4.21 54.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.75 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.6 p -101.02 -17.22 16.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.394 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.54 9.5 55.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.439 1.087 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.538 ' CD2' ' HB3' ' A' ' 80' ' ' PRO . 28.7 m-70 -73.59 150.04 41.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 0.8 . . . . 0.0 109.624 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -123.29 160.89 25.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.88 111.93 10.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.781 ' HB3' HG23 ' A' ' 73' ' ' THR . . . -143.95 162.07 37.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 109.234 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' A' ' 70' ' ' ALA . 8.1 m -149.91 153.49 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.516 ' CG ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -97.34 139.04 33.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.338 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.772 HD11 ' CE2' ' A' ' 59' ' ' PHE . 3.9 mt -129.32 116.18 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.579 HG22 ' CG1' ' A' ' 44' ' ' ILE . 59.5 t -101.6 102.86 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -125.33 169.29 12.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.401 1.063 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.37 131.2 21.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.246 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.4 Cg_endo -75.04 -0.68 10.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.535 1.808 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.58 -22.71 18.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.999 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.45 ' CG1' ' HA2' ' A' ' 64' ' ' GLY . 57.6 t -97.85 -46.52 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 102' ' ' PRO . 9.0 tt -129.38 157.46 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 82.6 p -107.78 159.82 16.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 0.0 109.974 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.512 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 32.6 p90 -60.15 -33.28 71.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.512 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 8.4 pt-20 -70.61 -31.05 67.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.414 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 30.6 mt-30 -64.6 -44.33 90.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.1 mt -62.67 -49.55 74.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.56 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 5.8 mt -57.09 -35.32 69.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.388 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -52.91 63.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 110.362 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.693 HG21 HD11 ' A' ' 62' ' ' LEU . 1.9 t -66.61 -44.84 89.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.536 ' CZ ' ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -51.09 -52.24 45.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.41 1.069 . . . . 0.0 110.978 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.567 ' CH2' ' HG ' ' A' ' 153' ' ' LEU . 39.0 m95 -66.98 -19.89 65.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 107.999 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -79.89 -37.96 33.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.241 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -93.86 -3.89 51.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -71.76 158.26 36.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.388 1.055 . . . . 0.0 109.593 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.89 143.41 27.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 159.92 40.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.367 1.72 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.464 ' HB3' ' HB3' ' A' ' 167' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.481 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 34.7 p90 -111.08 125.09 53.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.593 1.183 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 12.5 ptt85 -148.59 172.27 14.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.358 1.036 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.7 m -97.05 117.52 31.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.057 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -146.32 166.53 26.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.486 HG23 ' CE2' ' A' ' 47' ' ' PHE . 5.8 mt -125.08 131.09 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.256 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.547 ' HD2' HG22 ' A' ' 46' ' ' ILE . 44.9 m-85 -127.9 82.95 67.42 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.958 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.882 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.4 Cg_endo -75.04 166.13 29.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.2 8.66 19.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 29.2 p -146.21 161.19 40.18 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -36.74 2.34 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -62.98 -34.25 77.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.339 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -73.2 -36.95 66.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ASP . . . . . 0.437 ' OD1' HG22 ' A' ' 173' ' ' ILE . 0.2 OUTLIER -65.65 -44.67 85.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -66.27 -39.19 89.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -68.37 -47.2 68.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 153' ' ' LEU . . . -55.99 -59.44 4.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 109.277 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -58.84 -43.94 90.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -54.37 -44.32 72.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.173 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.1 p -78.39 -32.37 48.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 1.038 HD11 ' CG2' ' A' ' 171' ' ' THR . 2.8 tt -59.77 -53.92 52.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 158' ' ' ALA . 12.7 pt-20 -67.1 -41.75 85.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -55.74 -39.41 71.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -79.27 -55.41 5.1 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.563 1.165 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' GLN . . . . . 0.535 ' CD ' HG21 ' A' ' 169' ' ' ILE . 67.2 mm-40 -57.27 -37.45 72.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 110.265 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 154' ' ' GLU . . . -59.56 -39.7 84.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.48 98.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 11.8 ttp -65.78 -41.25 92.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.544 1.153 . . . . 0.0 111.045 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -30.14 70.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.51 -19.14 65.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.241 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -88.15 11.31 16.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.343 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.53 37.09 10.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -95.51 109.17 21.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 168' ' ' HIS . 1.9 p-10 -72.99 -6.09 43.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 167' ' ' ARG . . . . . 0.464 ' HB3' ' HB3' ' A' ' 121' ' ' ALA . 0.0 OUTLIER -68.46 68.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 166' ' ' ASP . 1.5 p80 -68.46 120.75 15.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.581 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.535 HG21 ' CD ' ' A' ' 157' ' ' GLN . 0.1 OUTLIER -66.73 142.27 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 62.7 m -108.94 51.68 0.74 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 110.417 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 171' ' ' THR . . . . . 1.038 ' CG2' HD11 ' A' ' 153' ' ' LEU . 3.6 t -91.56 136.34 33.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.093 . . . . 0.0 110.433 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.33 139.34 52.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 173' ' ' ILE . . . . . 0.583 HD11 HD12 ' A' ' 153' ' ' LEU . 10.6 mt -114.09 122.87 69.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -135.49 161.67 34.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -44.87 162.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.247 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 176' ' ' ALA . . . . . 0.882 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -73.6 87.07 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.334 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 177' ' ' THR . . . . . 0.43 ' O ' HD13 ' A' ' 46' ' ' ILE . 27.9 p -59.1 164.2 4.89 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 178' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -74.98 112.9 3.67 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.544 1.813 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -76.62 136.82 39.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 180' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 181' ' ' TYR . 0.5 OUTLIER -112.08 106.42 15.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.6 ' HB3' HG21 ' A' ' 24' ' ' VAL . 36.1 m-85 -38.38 158.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.576 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -122.67 175.67 6.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 183' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 182' ' ' ALA . 0.0 OUTLIER -37.25 140.01 0.21 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -60.37 -24.65 65.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.56 -42.02 95.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 186' ' ' HIS . . . . . 0.839 ' HD1' ' HE1' ' A' ' 53' ' ' TRP . 79.5 m-70 -63.14 -43.46 98.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 0.0 109.597 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -47.85 108.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.568 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 11.6 mp0 53.32 58.45 5.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.238 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.409 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 8.7 t80 -86.28 -27.94 24.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.48 ' HB3' ' CD ' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -76.49 -47.05 24.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.401 1.063 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.806 ' ND1' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -58.9 -28.73 66.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.673 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -32.11 73.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.9 OUTLIER -138.98 109.3 7.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.223 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.593 1.838 . . . . 0.0 111.008 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.4 mtp -71.1 146.97 93.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 137.92 22.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.529 1.805 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.754 HG21 ' HB3' ' A' ' 181' ' ' TYR . 70.1 t -128.82 139.18 52.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.06 152.63 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.353 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.888 ' C ' HD13 ' A' ' 27' ' ' LEU . 17.5 m -79.04 -44.5 22.07 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.474 1.109 . . . . 0.0 110.379 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.888 HD13 ' C ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -111.2 142.12 43.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.567 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 16.3 t-80 -50.52 156.44 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.642 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 188' ' ' GLN . . . -85.05 -25.76 27.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.963 HG11 ' CD2' ' A' ' 60' ' ' TRP . 56.0 t -95.26 -67.06 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -56.27 -38.0 70.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.96 17.03 75.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.488 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.0 t-80 -132.06 163.36 28.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 0.774 . . . . 0.0 109.601 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.488 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 19.0 t -46.7 131.71 11.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.18 -29.15 13.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.957 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 t -75.81 -34.7 60.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.068 . . . . 0.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -64.29 130.64 44.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.576 ' CG2' HD11 ' A' ' 44' ' ' ILE . 77.8 t -116.9 104.56 50.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 40' ' ' ASP . 18.4 Cg_endo -75.01 133.43 16.57 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.546 1.814 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -39.99 122.64 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.41 ' O ' ' OD1' ' A' ' 101' ' ' ASP . . . 104.56 -5.68 44.35 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.469 1.106 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.5 ' HE2' ' OD1' ' A' ' 101' ' ' ASP . 31.2 tpp -97.2 140.54 31.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 0.731 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -126.64 154.85 43.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.723 HG12 HG22 ' A' ' 99' ' ' VAL . 3.2 mt -114.96 147.85 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.84 129.88 33.07 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.478 HG23 ' CE1' ' A' ' 179' ' ' PHE . 21.1 mt -103.09 125.94 57.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.597 ' HE1' HG23 ' A' ' 138' ' ' ILE . 34.2 m-85 -141.35 164.12 31.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.959 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -143.94 126.94 16.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.768 ' HB2' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -136.23 -172.53 3.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 111.02 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' PHE . . . -61.68 -100.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.508 ' O ' HG23 ' A' ' 55' ' ' VAL . 76.9 m -65.57 78.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' A' ' 53' ' ' TRP . 32.6 p90 -46.09 -42.29 13.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 110.982 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.64 ' N ' ' CD1' ' A' ' 52' ' ' PHE . 1.7 m0 -54.9 -43.32 73.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 107.985 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.88 -42.46 45.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.787 HG12 ' CE2' ' A' ' 59' ' ' PHE . 47.1 t -56.98 -48.02 82.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 0.767 . . . . 0.0 109.323 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -41.75 84.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.452 ' NH1' ' OE1' ' A' ' 61' ' ' GLN . 44.7 ttt-85 -68.22 -54.72 15.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -23.11 41.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.787 ' CE2' HG12 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -75.94 -65.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 111.066 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.963 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -57.84 -51.28 70.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 108.024 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.581 ' HG2' ' CZ2' ' A' ' 60' ' ' TRP . 25.9 mt-30 -48.79 -22.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.644 HD23 ' HD2' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -73.22 144.06 84.06 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.644 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.08 116.02 4.45 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.6 -20.99 6.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.626 HG21 ' O ' ' A' ' 59' ' ' PHE . 65.1 t -81.73 116.01 25.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.423 0.72 . . . . 0.0 109.308 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.437 ' N ' ' O ' ' A' ' 99' ' ' VAL . 1.9 t80 -75.12 -49.85 18.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.398 1.061 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.7 m -158.62 164.1 36.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.451 HG22 ' HA ' ' A' ' 98' ' ' ILE . 70.9 p -143.86 157.43 44.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.379 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -135.07 160.03 39.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -122.12 116.4 24.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.361 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -142.46 -163.33 9.63 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.437 1.086 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -125.45 157.57 36.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 0.737 . . . . 0.0 110.961 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.2 t -160.13 160.76 33.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.595 1.184 . . . . 0.0 110.403 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.33 -11.03 73.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.48 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -88.33 168.02 36.32 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -108.98 -23.0 11.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.417 HG21 ' OE2' ' A' ' 84' ' ' GLU . 4.0 m -75.07 123.27 88.79 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 154.73 43.21 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.411 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 6.9 m120 48.77 64.81 8.02 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.56 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 18.5 Cg_endo -74.94 141.3 26.65 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.556 1.819 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.5 m -110.99 162.82 14.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.376 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -55.04 -48.48 73.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.89 -31.24 66.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.431 ' OE1' ' HA ' ' A' ' 80' ' ' PRO . 2.5 tt0 -63.35 -43.03 98.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 56.9 t -68.47 -41.72 83.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 t -54.8 -24.32 22.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.054 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -39.16 78.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.41 10.41 85.37 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -100.03 8.33 44.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.8 p -104.35 -17.46 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.9 16.82 70.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.56 ' CD2' ' HB3' ' A' ' 80' ' ' PRO . 40.4 m-70 -82.19 155.45 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.549 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -129.26 153.13 48.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.495 ' OE1' ' CG ' ' A' ' 52' ' ' PHE . 5.0 mm-40 -72.45 123.67 23.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.417 ' CB ' ' CZ ' ' A' ' 179' ' ' PHE . . . -144.07 160.61 40.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.515 HG23 HD11 ' A' ' 98' ' ' ILE . 23.4 m -134.32 147.66 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.812 ' C ' HD12 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -97.49 145.41 26.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.812 HD12 ' C ' ' A' ' 97' ' ' ARG . 3.7 mp -133.32 129.65 56.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.723 HG22 HG12 ' A' ' 44' ' ' ILE . 26.4 t -125.54 106.68 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.185 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.706 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 39.7 p90 -133.62 179.98 5.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.5 ' OD1' ' HE2' ' A' ' 42' ' ' MET . 7.6 m-20 -113.41 135.19 21.84 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.99 0.51 8.81 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.517 1.799 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.3 t -92.12 -16.3 26.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 0.0 109.98 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 72.7 t -115.99 -47.0 4.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.425 1.078 . . . . 0.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.793 HD13 ' N ' ' A' ' 106' ' ' SER . 0.2 OUTLIER -127.49 130.94 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.793 ' N ' HD13 ' A' ' 105' ' ' ILE . 6.6 p -95.75 157.98 15.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.923 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.464 ' CB ' ' HG2' ' A' ' 145' ' ' GLN . 45.9 p90 -66.52 -36.21 82.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.456 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.4 tt0 -55.12 -39.94 69.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.251 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.448 ' HB2' HD11 ' A' ' 105' ' ' ILE . 32.7 mt-30 -72.13 -40.03 68.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 0.0 110.268 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.706 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 31.5 mt -55.85 -43.18 76.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.547 ' O ' ' CD2' ' A' ' 115' ' ' TRP . 12.4 mt -65.56 -33.61 76.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.486 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 16.3 tt0 -58.0 -50.91 71.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.456 1.098 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.88 -33.48 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 118' ' ' HIS . 5.8 t80 -53.66 -48.71 69.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 110.99 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.56 ' CZ2' ' HB2' ' A' ' 152' ' ' SER . 1.2 m0 -66.47 -20.26 66.0 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -80.46 -38.08 30.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.262 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.468 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 4.9 t-20 -92.71 -9.01 42.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 114' ' ' PHE . 83.0 t60 -70.84 162.04 29.92 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.591 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -103.73 136.55 19.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.244 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 159.81 40.72 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.52 ' HB2' ' HA ' ' A' ' 169' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.361 -0.236 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.506 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 19.8 p90 -112.83 128.37 56.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -132.12 173.14 11.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.4 m -103.87 122.15 44.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.976 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.459 ' HB2' ' HG2' ' A' ' 172' ' ' GLU . . . -156.19 150.1 25.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.761 HG22 ' HD3' ' A' ' 140' ' ' PRO . 55.9 mt -112.99 130.74 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -130.19 78.23 74.96 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.761 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.1 Cg_endo -75.0 166.71 28.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' A' ' 176' ' ' ALA . 8.2 tp -112.4 -40.15 4.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.434 ' OG1' ' CG ' ' A' ' 145' ' ' GLN . 68.7 p -84.27 162.27 51.98 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -33.75 4.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.498 1.788 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -64.91 -49.78 69.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.464 ' HG2' ' CB ' ' A' ' 107' ' ' TYR . 86.9 mt-30 -54.84 -46.47 74.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.31 -48.38 79.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.57 92.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -67.27 -47.14 71.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.26 -55.2 36.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.242 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -40.61 95.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -57.47 -37.47 72.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.428 1.08 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.56 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 10.2 p -74.52 -41.71 60.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.998 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.736 HD23 ' C ' ' A' ' 153' ' ' LEU . 3.2 tt -63.15 -50.83 68.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.158 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -56.65 -37.34 70.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.362 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 159' ' ' ALA . 0.0 OUTLIER -75.65 -55.16 5.92 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.475 ' CD1' HG21 ' A' ' 169' ' ' ILE . 8.0 t80 -45.7 -46.61 14.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 157' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' A' ' 160' ' ' MET . 1.3 tt0 -61.48 -42.49 98.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.27 -31.45 67.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.243 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 155' ' ' ARG . . . -62.99 -48.81 77.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.214 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.508 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 7.6 ptm -68.09 -32.91 73.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.508 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -65.99 -41.08 91.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.06 -23.04 67.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.417 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -83.71 -6.18 59.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 8.0 t0 75.67 34.06 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -101.76 121.64 42.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 109.363 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.08 15.73 8.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -91.09 84.61 5.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.569 ' CE1' ' O ' ' A' ' 169' ' ' ILE . 0.1 OUTLIER -61.6 136.59 58.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.605 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.85 HG13 HG22 ' A' ' 171' ' ' THR . 6.3 pt -69.15 140.79 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.073 . . . . 0.0 109.348 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 8.8 t -96.86 36.2 1.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.402 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.85 HG22 HG13 ' A' ' 169' ' ' ILE . 2.1 t -92.65 128.09 38.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 172' ' ' GLU . . . . . 0.459 ' HG2' ' HB2' ' A' ' 137' ' ' ALA . 10.3 pt-20 -119.1 139.41 51.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 4.9 mt -124.8 127.64 72.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -149.89 171.21 17.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.367 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -43.2 164.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 176' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -84.26 87.56 7.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 177' ' ' THR . . . . . 0.483 ' HB ' ' HD2' ' A' ' 178' ' ' PRO . 25.2 p -59.14 165.38 3.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 178' ' ' PRO . . . . . 0.483 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.3 Cg_endo -74.96 118.44 5.27 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.478 ' CE1' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -76.54 145.62 38.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.959 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 180' ' ' TYR . . . . . 0.463 ' O ' ' C ' ' A' ' 181' ' ' TYR . 17.2 m-85 -118.68 91.29 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 111.071 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.754 ' HB3' HG21 ' A' ' 24' ' ' VAL . 14.0 m-85 -32.85 139.67 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -100.01 175.53 5.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -47.31 137.92 7.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.19 -23.43 62.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.3 -41.8 98.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -78.68 -28.15 45.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.64 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 187' ' ' GLN . 12.7 tp60 -55.54 111.93 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.567 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 3.5 mp0 48.03 55.81 8.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.348 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.448 ' CD2' ' CE2' ' A' ' 53' ' ' TRP . 1.9 t80 -85.65 -45.91 11.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 12.8 tp -63.04 -41.27 99.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.485 ' CD2' ' N ' ' A' ' 191' ' ' HIS . 0.7 OUTLIER -57.71 -28.86 64.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 109.691 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.41 -44.3 62.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.08 115.56 7.87 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.181 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.21 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.737 ' HE1' HG23 ' A' ' 81' ' ' THR . 0.2 OUTLIER -82.33 145.81 52.87 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 125.88 9.52 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 110.952 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.453 HG21 ' CB ' ' A' ' 181' ' ' TYR . 2.9 t -123.75 137.24 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.13 159.9 27.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.75 HG22 HD13 ' A' ' 27' ' ' LEU . 3.0 m -82.89 -45.2 14.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 110.377 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.75 HD13 HG22 ' A' ' 26' ' ' THR . 0.1 OUTLIER -109.47 145.72 35.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.377 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.467 ' CD2' ' H ' ' A' ' 68' ' ' THR . 36.8 t-80 -54.62 164.76 0.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.643 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.531 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -84.92 -33.13 22.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.442 ' HB ' ' CE1' ' A' ' 28' ' ' HIS . 75.3 t -95.12 -63.15 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.162 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -55.84 -39.66 71.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.02 22.85 78.79 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.528 ' CG ' ' N ' ' A' ' 34' ' ' SER . 8.0 t-80 -129.48 166.99 18.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 0.746 . . . . 0.0 109.619 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.528 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -41.88 141.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.434 ' CE ' ' HB2' ' A' ' 69' ' ' ALA . 2.8 mtp -98.08 -64.95 0.99 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.158 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.465 HG23 ' N ' ' A' ' 37' ' ' ASN . 15.2 t -55.25 -51.57 66.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 110.364 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.465 ' N ' HG23 ' A' ' 36' ' ' THR . 0.4 OUTLIER -55.02 131.84 45.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.812 HG22 HG11 ' A' ' 99' ' ' VAL . 3.4 t -125.86 133.01 24.5 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.405 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.1 Cg_endo -75.01 143.92 29.61 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.35 121.96 12.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.18 4.65 29.06 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.562 1.164 . . . . 0.0 111.022 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.597 ' HB3' HG13 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -109.38 165.66 11.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 111.034 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.7 158.51 43.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.737 ' CG1' HG22 ' A' ' 99' ' ' VAL . 2.6 mp -109.86 151.37 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.487 ' HB1' ' CZ ' ' A' ' 47' ' ' PHE . . . -140.52 131.26 25.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.228 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.893 HG21 ' CE2' ' A' ' 179' ' ' PHE . 97.3 mt -113.58 138.77 42.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.487 ' CZ ' ' HB1' ' A' ' 45' ' ' ALA . 49.0 m-85 -150.97 165.07 34.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -142.73 127.46 18.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.575 ' HB2' HG21 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -135.45 -174.53 3.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.404 ' O ' ' OE1' ' A' ' 94' ' ' GLU . . . -64.9 -90.12 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.14 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.889 ' O ' HG23 ' A' ' 55' ' ' VAL . 56.4 m -70.8 76.59 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.49 ' CG ' ' N ' ' A' ' 53' ' ' TRP . 49.7 p90 -51.53 -44.39 62.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.804 ' CH2' ' CD2' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -55.66 -44.82 77.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 107.975 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.47 ' O ' ' CG ' ' A' ' 57' ' ' ARG . . . -74.67 -27.82 64.38 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 51' ' ' CYS . 62.1 t -75.81 -54.48 13.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.564 0.802 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.537 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 15.7 pt-20 -48.38 -37.76 17.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.246 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.543 ' HA ' ' CE2' ' A' ' 60' ' ' TRP . 0.4 OUTLIER -77.37 -26.56 52.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.78 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -76.7 -32.3 57.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.388 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.522 ' CG ' HG12 ' A' ' 98' ' ' ILE . 2.9 m-85 -66.11 -64.48 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 111.078 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.543 ' CE2' ' HA ' ' A' ' 57' ' ' ARG . 0.7 OUTLIER -56.88 -21.17 27.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.143 . . . . 0.0 108.052 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.51 -21.09 62.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.331 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.891 HD22 HD23 ' A' ' 110' ' ' LEU . 0.5 OUTLIER -71.62 137.13 83.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 109.88 3.01 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.428 1.751 . . . . 0.0 111.047 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.27 -15.02 5.34 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.454 1.097 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.421 HG11 ' CG2' ' A' ' 68' ' ' THR . 47.7 t -78.86 124.54 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 0.8 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.432 ' N ' ' O ' ' A' ' 99' ' ' VAL . 1.3 t80 -74.99 -54.66 6.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.2 m -161.97 152.72 17.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.467 ' H ' ' CD2' ' A' ' 28' ' ' HIS . 24.6 p -136.6 156.07 49.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.584 ' HB3' ' HD3' ' A' ' 97' ' ' ARG . . . -147.05 156.18 42.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.623 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -99.26 138.46 36.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -147.14 -177.88 22.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.416 1.072 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -123.75 153.91 40.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 0.717 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.968 HG21 ' CZ ' ' A' ' 179' ' ' PHE . 3.8 t -160.02 160.17 32.94 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 0.0 110.385 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.85 -22.99 38.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.587 1.179 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.565 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -90.55 177.9 42.46 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -117.05 -18.47 10.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.1 m -73.72 123.08 89.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 110.34 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -74.97 155.44 43.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.556 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 17.9 m-80 39.33 56.91 6.22 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.628 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.5 Cg_endo -74.97 140.31 25.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.791 ' O ' HG23 ' A' ' 85' ' ' VAL . 5.1 m -93.36 151.38 19.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -50.88 -50.9 56.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -44.67 82.72 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 0.0 110.299 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 87' ' ' SER . 35.0 mt-10 -73.06 -25.41 60.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 81' ' ' THR . 42.4 t -72.9 -48.4 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.1 t -60.67 -25.78 66.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.981 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.416 ' HB3' ' O ' ' A' ' 84' ' ' GLU . 40.7 t -54.51 -40.46 68.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.41 16.94 74.86 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.401 1.063 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -98.59 -3.01 37.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.49 -29.8 10.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.82 -14.43 65.31 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.628 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 40.6 m-70 -59.17 148.22 32.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 0.75 . . . . 0.0 109.579 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -124.88 158.13 34.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.404 ' OE1' ' O ' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -70.42 123.09 20.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -146.07 158.6 43.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' A' ' 70' ' ' ALA . 17.0 m -138.49 151.58 24.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.631 ' C ' HD12 ' A' ' 98' ' ' ILE . 6.6 ptm180 -109.74 145.43 36.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.631 HD12 ' C ' ' A' ' 97' ' ' ARG . 4.4 mp -132.17 134.06 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.812 HG11 HG22 ' A' ' 38' ' ' VAL . 58.2 t -121.33 106.74 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.703 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 27.4 p90 -129.03 177.28 7.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.84 134.9 20.51 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.427 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.0 Cg_endo -75.08 1.56 7.64 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.45 -17.72 17.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.979 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.0 t -110.38 -41.96 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.57 HG23 ' CD1' ' A' ' 100' ' ' TYR . 1.0 OUTLIER -133.33 139.92 48.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.401 ' N ' HG13 ' A' ' 105' ' ' ILE . 9.4 p -96.84 159.25 15.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.031 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 20.3 p90 -66.34 -33.29 75.41 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.563 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -60.36 -36.11 77.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 110.247 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -64.84 -44.29 90.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.448 1.093 . . . . 0.0 110.283 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.891 HD23 HD22 ' A' ' 62' ' ' LEU . 23.0 mt -61.39 -45.26 95.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.547 ' O ' ' CD2' ' A' ' 115' ' ' TRP . 3.3 mt -71.88 -33.09 68.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.554 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 44.2 tt0 -59.01 -49.84 76.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.76 -34.58 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 118' ' ' HIS . 13.3 t80 -53.97 -47.46 71.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.643 ' CZ2' ' CB ' ' A' ' 152' ' ' SER . 1.0 OUTLIER -66.61 -18.46 65.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 108.013 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -87.95 -28.73 21.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -105.27 5.38 31.98 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 114' ' ' PHE . 24.4 t60 -84.74 152.98 23.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.54 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -105.11 146.73 33.26 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -172.09 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.456 1.766 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 167' ' ' ARG . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -126.32 56.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.95 108.82 20.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.6 m -59.99 130.81 48.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.498 ' HB3' ' CE1' ' A' ' 139' ' ' TYR . . . -148.45 161.33 41.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.649 HG22 ' HD3' ' A' ' 140' ' ' PRO . 36.8 mt -124.65 127.69 72.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.498 ' CE1' ' HB3' ' A' ' 137' ' ' ALA . 53.1 m-85 -130.57 81.82 66.69 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.649 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.2 Cg_endo -75.01 163.64 34.93 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.558 1.82 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.802 HD22 ' HB3' ' A' ' 176' ' ' ALA . 0.2 OUTLIER -97.28 -54.27 3.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 10.4 p -79.56 163.0 61.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -36.34 2.67 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.508 1.794 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.32 -37.7 75.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -72.4 -38.5 68.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.88 -52.57 59.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -58.79 -43.61 90.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -66.31 -43.25 86.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.04 -58.86 6.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.238 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -61.68 -32.47 72.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -63.07 -47.85 81.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.643 ' CB ' ' CZ2' ' A' ' 115' ' ' TRP . 51.9 p -75.01 -34.09 61.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.832 HD11 HG23 ' A' ' 171' ' ' THR . 5.1 tt -64.49 -50.3 68.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.03 -46.93 86.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -55.11 39.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -53.35 -45.15 69.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -61.24 -40.75 95.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.341 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.48 -46.22 67.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -56.6 -41.74 77.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.403 ' HE2' ' HB3' ' A' ' 160' ' ' MET . 0.7 OUTLIER -62.99 -43.0 100.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.728 HD23 ' NE2' ' A' ' 168' ' ' HIS . 0.2 OUTLIER -66.05 -33.41 75.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 109.38 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.18 -21.91 66.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -78.15 -5.34 51.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 3.3 t0 78.71 21.77 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -91.2 116.16 28.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.05 54.96 3.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 167' ' ' ARG . . . . . 0.419 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 13.5 mtt180 -146.9 87.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.728 ' NE2' HD23 ' A' ' 161' ' ' LEU . 12.7 m170 -72.44 150.36 43.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.617 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.27 142.29 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 86.6 m -87.53 50.46 2.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.832 HG23 HD11 ' A' ' 153' ' ' LEU . 8.0 t -95.3 124.33 39.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.448 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.18 153.65 38.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 173' ' ' ILE . . . . . 0.528 HD11 HD13 ' A' ' 153' ' ' LEU . 20.0 mt -119.56 129.3 75.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -141.08 167.12 22.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -52.18 163.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 176' ' ' ALA . . . . . 0.802 ' HB3' HD22 ' A' ' 141' ' ' LEU . . . -89.61 67.75 7.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 177' ' ' THR . . . . . 0.465 HG22 ' CE1' ' A' ' 179' ' ' PHE . 0.5 OUTLIER -59.98 163.29 8.01 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 110.353 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 108.79 2.8 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.504 1.791 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.968 ' CZ ' HG21 ' A' ' 73' ' ' THR . 5.9 m-30 -86.48 146.94 26.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 180' ' ' TYR . . . . . 0.412 ' O ' ' O ' ' A' ' 181' ' ' TYR . 41.5 m-85 -88.73 114.73 25.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.453 ' CB ' HG21 ' A' ' 24' ' ' VAL . 30.8 m-85 -42.71 167.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 1.012 ' HB1' ' NE2' ' A' ' 186' ' ' HIS . . . -112.95 164.62 13.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.57 128.43 35.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 110.229 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -51.9 -21.02 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.86 -39.71 65.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 186' ' ' HIS . . . . . 1.012 ' NE2' ' HB1' ' A' ' 182' ' ' ALA . 11.3 p80 -113.27 -22.87 10.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.63 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 0.476 ' C ' ' CG ' ' A' ' 188' ' ' GLN . 0.0 OUTLIER -64.48 130.52 44.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 110.226 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.476 ' CG ' ' C ' ' A' ' 187' ' ' GLN . 1.1 pt20 43.71 40.16 2.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.804 ' CD2' ' CH2' ' A' ' 53' ' ' TRP . 57.2 t80 -83.35 -24.11 32.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.559 HD13 ' O ' ' A' ' 193' ' ' ASN . 0.4 OUTLIER -58.01 -37.47 74.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.531 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -56.38 -29.94 62.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.13 -41.15 64.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.751 ' ND2' ' CE2' ' A' ' 189' ' ' TYR . 0.7 OUTLIER -137.97 121.52 11.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 111.05 179.94 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.027 -0.413 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.18 152.86 84.26 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 148.32 34.97 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.502 HG21 ' CG ' ' A' ' 181' ' ' TYR . 21.8 t -134.22 154.18 37.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.62 163.74 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.364 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.5 m -88.94 -31.18 18.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.379 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 pp -149.92 145.62 26.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.458 ' CD2' ' H ' ' A' ' 68' ' ' THR . 12.3 t-80 -40.76 149.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.583 1.177 . . . . 0.0 109.628 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.612 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -84.78 -33.55 22.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.662 HG21 ' CE2' ' A' ' 60' ' ' TRP . 48.9 t -83.68 -69.8 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -51.45 -39.81 58.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.11 33.74 39.68 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -148.61 165.44 31.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.756 . . . . 0.0 109.642 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.1 m -55.76 132.58 49.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.087 . . . . 0.0 109.943 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.729 ' SD ' ' HB2' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -98.24 -4.52 35.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.435 HG22 ' OH ' ' A' ' 181' ' ' TYR . 57.5 p -92.2 -42.97 9.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -56.26 131.19 47.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.371 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.488 HG21 HD11 ' A' ' 44' ' ' ILE . 54.9 t -118.81 99.49 51.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 137.23 21.54 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.034 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.74 123.98 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.16 0.01 44.33 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.455 ' HG3' HG13 ' A' ' 99' ' ' VAL . 40.4 tpp -107.33 143.02 36.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 1.9 pt-20 -132.26 163.2 29.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.82 ' CG1' HG22 ' A' ' 99' ' ' VAL . 3.1 mt -114.17 151.47 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -142.74 131.59 22.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.478 HG22 ' HB2' ' A' ' 139' ' ' TYR . 6.3 mt -109.58 127.85 66.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -141.74 164.72 29.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -155.39 134.11 11.97 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.453 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -150.38 -174.74 4.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 0.0 111.027 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -38.11 -84.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.625 ' HB3' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -59.78 178.69 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.601 ' CZ ' ' HB1' ' A' ' 70' ' ' ALA . 5.5 t80 -150.47 -48.81 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 111.048 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.664 ' HB3' HD23 ' A' ' 190' ' ' LEU . 1.8 m0 -71.16 -46.6 61.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 108.018 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.15 -36.62 92.1 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.756 ' HA ' HD23 ' A' ' 58' ' ' LEU . 99.3 t -60.67 -54.6 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.495 ' O ' ' CE3' ' A' ' 60' ' ' TRP . 29.5 tt0 -49.64 -36.53 24.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.082 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.541 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 5.4 ttp180 -78.54 -46.37 19.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.756 HD23 ' HA ' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -61.83 -26.77 68.32 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.434 1.084 . . . . 0.0 109.253 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.781 ' CE2' HD11 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -70.71 -66.41 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.662 ' CE2' HG21 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -56.59 -20.07 19.16 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 107.997 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.37 -25.3 62.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 110.342 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.773 HD11 HG11 ' A' ' 113' ' ' VAL . 6.1 mt -72.21 141.72 83.92 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.1 Cg_endo -75.01 112.14 3.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.448 1.762 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.75 -13.97 5.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.409 HG13 HG23 ' A' ' 98' ' ' ILE . 61.2 t -83.85 118.02 30.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.435 0.727 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 99' ' ' VAL . 4.1 t80 -75.04 -42.21 57.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.7 p -175.83 157.21 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.013 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.458 ' H ' ' CD2' ' A' ' 28' ' ' HIS . 20.3 p -138.75 169.72 17.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.729 ' HB2' ' SD ' ' A' ' 35' ' ' MET . . . -152.97 150.4 29.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.788 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -95.84 138.36 33.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.463 ' HA2' ' N ' ' A' ' 182' ' ' ALA . . . -163.87 -173.29 32.37 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.634 ' CE2' ' HA ' ' A' ' 182' ' ' ALA . 3.0 m-85 -123.43 163.47 20.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 0.0 110.996 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.449 HG22 ' CB ' ' A' ' 95' ' ' ALA . 9.7 t -167.76 163.23 14.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 110.391 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.33 -20.26 48.98 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.516 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -84.16 178.78 51.91 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -115.08 -17.89 11.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 0.735 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.488 HG21 ' OE2' ' A' ' 84' ' ' GLU . 87.7 m -74.33 118.69 71.84 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 110.461 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -75.03 144.25 29.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.446 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 26.8 m-20 39.65 62.48 5.34 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.567 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.95 175.29 11.42 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.553 ' O ' HG23 ' A' ' 85' ' ' VAL . 90.0 m -116.83 154.12 31.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -55.55 -43.46 75.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -43.5 64.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.488 ' OE2' HG21 ' A' ' 77' ' ' THR . 21.3 tt0 -60.62 -38.13 83.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 81' ' ' THR . 52.4 t -68.08 -37.93 78.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 109.254 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.1 t -53.37 -36.88 61.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.001 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.52 -39.11 72.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.017 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.05 13.9 68.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.565 1.166 . . . . 0.0 111.012 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -85.65 -11.63 53.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 0.739 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.5 p -92.6 -20.54 20.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.27 9.76 61.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 0.0 110.952 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.567 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 18.9 m-70 -68.95 147.0 52.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 0.0 109.642 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -115.95 150.58 36.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.489 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 22.2 mt-10 -70.68 109.75 5.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.449 ' CB ' HG22 ' A' ' 73' ' ' THR . . . -131.08 160.94 33.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.558 1.161 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.788 HG12 ' HA ' ' A' ' 70' ' ' ALA . 4.4 m -141.7 139.35 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.486 ' NE ' HG21 ' A' ' 44' ' ' ILE . 5.5 mtt180 -89.91 129.14 36.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 110.273 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.781 HD11 ' CE2' ' A' ' 59' ' ' PHE . 3.9 mp -119.25 122.88 70.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.39 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.82 HG22 ' CG1' ' A' ' 44' ' ' ILE . 95.5 t -110.7 102.45 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.662 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 17.7 p90 -130.26 172.23 12.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.56 135.59 19.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.167 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.4 Cg_endo -74.98 0.64 8.65 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.543 1.812 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.02 -24.9 17.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 110.017 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.7 t -100.67 -50.36 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.51 HG23 ' CD1' ' A' ' 100' ' ' TYR . 19.1 tt -117.99 156.27 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 p -115.51 147.5 40.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.067 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 9.8 p90 -56.72 -25.62 54.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.479 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.5 OUTLIER -66.31 -43.16 86.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.357 1.036 . . . . 0.0 110.258 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -64.44 -45.35 87.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.662 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 55.4 mt -59.06 -51.62 69.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 107' ' ' TYR . 3.3 mt -59.03 -41.86 88.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -61.59 -52.6 63.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.773 HG11 HD11 ' A' ' 62' ' ' LEU . 15.7 t -62.75 -41.48 92.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 114' ' ' PHE . 2.0 t80 -62.85 -41.66 99.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.557 ' HB3' ' CE2' ' A' ' 156' ' ' PHE . 38.7 m95 -71.83 -20.32 61.85 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.83 -30.95 22.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.453 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 9.7 t-20 -95.75 -1.32 50.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.436 ' CG ' ' N ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -70.44 171.68 9.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.576 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.436 ' N ' ' CG ' ' A' ' 118' ' ' HIS . 0.3 OUTLIER -108.9 140.9 22.32 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 158.8 41.88 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.504 ' HB2' ' HA ' ' A' ' 169' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.389 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.47 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 27.8 p90 -108.83 126.91 53.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -132.81 172.99 11.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 67.5 p -102.86 95.81 6.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.045 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -132.17 146.15 51.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.827 HG22 ' HD3' ' A' ' 140' ' ' PRO . 69.5 mt -110.78 133.41 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.478 ' HB2' HG22 ' A' ' 46' ' ' ILE . 87.6 m-85 -128.1 76.78 77.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.942 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.953 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.0 Cg_endo -75.01 164.6 33.01 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.9 -52.51 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.3 p -77.41 162.17 69.84 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 110.417 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -40.62 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.88 -32.64 72.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.272 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 149' ' ' ALA . 39.6 tt0 -72.11 -39.38 68.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -51.19 60.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -57.08 -38.34 73.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.421 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -76.25 -35.52 58.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 145' ' ' GLN . . . -62.7 -59.66 4.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -59.08 -28.62 66.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -67.7 -46.52 72.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 59.8 p -61.14 -43.74 98.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.952 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 5.7 tt -56.35 -51.21 69.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -53.41 -47.89 69.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.04 -49.97 75.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.318 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.557 ' CE2' ' HB3' ' A' ' 115' ' ' TRP . 0.3 OUTLIER -63.44 -40.44 97.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -62.08 -47.69 83.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.43 -46.85 65.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -56.31 -44.6 80.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.408 1.067 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.407 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 16.1 ttp -63.3 -43.99 96.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.438 HD23 ' NE2' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -64.25 -31.41 72.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -68.19 -17.62 64.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.455 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -83.31 -4.63 58.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.9 t0 78.51 28.5 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -104.11 115.1 29.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -84.52 6.49 23.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.57 1.169 . . . . 0.0 109.342 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -84.9 80.8 9.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.438 ' NE2' HD23 ' A' ' 161' ' ' LEU . 9.9 m80 -62.79 134.62 56.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.552 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.569 ' H ' HD13 ' A' ' 169' ' ' ILE . 0.2 OUTLIER -71.63 133.98 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 36.2 p -86.18 45.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.454 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 34.9 m -91.62 126.12 36.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.439 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.0 138.22 54.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.42 1.075 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 42.5 mt -108.27 123.75 64.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.211 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -137.98 156.28 48.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -42.48 157.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 176' ' ' ALA . . . . . 0.953 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -69.56 85.58 0.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.247 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 2.0 p -58.65 163.53 5.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 97.9 1.12 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.568 1.825 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.4 OUTLIER -77.19 133.36 38.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 180' ' ' TYR . . . . . 0.407 ' O ' ' O ' ' A' ' 181' ' ' TYR . 5.5 m-85 -120.39 130.74 54.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.502 ' CG ' HG21 ' A' ' 24' ' ' VAL . 25.0 m-85 -37.64 157.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.634 ' HA ' ' CE2' ' A' ' 72' ' ' TYR . . . -96.67 -62.99 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.35 159.15 28.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.98 -23.26 65.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.19 -34.35 59.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -70.3 -39.64 74.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.639 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.53 99.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.173 . . . . 0.0 110.287 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 29' ' ' ALA . 9.0 mp0 56.03 60.97 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.337 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 189' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -82.36 -29.51 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.664 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -74.18 -29.16 61.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.612 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -64.91 -41.62 95.41 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.545 1.153 . . . . 0.0 109.571 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -63.41 -40.93 98.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.093 . . . . 0.0 109.258 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.478 ' O ' HD13 ' A' ' 190' ' ' LEU . 2.6 p-10 -136.0 103.71 9.82 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.418 1.746 . . . . 0.0 111.043 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 110.962 -0.438 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 8.1 mtm -74.24 153.31 88.26 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 159.07 41.48 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.54 1.81 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.4 t -138.88 156.72 28.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.09 164.77 26.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.075 . . . . 0.0 109.254 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.422 ' C ' HD13 ' A' ' 27' ' ' LEU . 75.9 m -90.69 -45.36 8.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -103.99 156.04 18.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 33' ' ' HIS . 42.4 t-80 -71.7 166.34 22.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 109.596 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.701 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -86.21 -37.7 18.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.4 t -92.88 -65.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -54.07 -34.5 60.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.591 1.182 . . . . 0.0 109.278 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.6 24.7 71.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -124.73 169.93 11.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.561 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -39.73 135.73 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -94.65 -51.17 4.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 111.056 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.7 OUTLIER -88.71 -47.26 8.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.386 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -55.12 127.41 28.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.943 HG21 HD11 ' A' ' 44' ' ' ILE . 56.0 t -116.14 123.49 30.83 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.18 26.34 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -52.98 126.98 22.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.1 1.62 31.62 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.454 1.096 . . . . 0.0 111.045 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.475 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 3.3 mtp -115.21 164.67 13.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -139.8 159.2 42.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.226 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.943 HD11 HG21 ' A' ' 38' ' ' VAL . 2.8 mp -109.54 148.58 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.79 131.27 30.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.361 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.428 HG22 ' HB2' ' A' ' 139' ' ' TYR . 6.3 mt -106.04 130.58 57.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -144.57 156.22 44.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -136.95 133.85 36.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.47 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 0.5 OUTLIER -138.37 172.19 13.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.941 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -49.82 -64.21 3.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.41 ' HB3' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -75.25 179.56 5.04 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.5 p90 -144.09 -45.08 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 111.046 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.635 ' CH2' ' CE1' ' A' ' 189' ' ' TYR . 14.6 m0 -72.75 -36.89 67.8 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.53 -44.25 13.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.474 1.109 . . . . 0.0 111.061 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.41 HG23 ' HB3' ' A' ' 51' ' ' CYS . 97.4 t -57.3 -59.21 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 0.782 . . . . 0.0 109.352 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 14.9 pt-20 -50.0 -42.5 49.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.539 ' HA ' ' CD2' ' A' ' 60' ' ' TRP . 2.2 tmt_? -70.17 -30.31 67.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -25.83 55.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.369 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.656 ' CE2' HD11 ' A' ' 98' ' ' ILE . 1.0 OUTLIER -72.5 -59.97 2.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.539 ' CD2' ' HA ' ' A' ' 57' ' ' ARG . 0.7 OUTLIER -62.24 -15.81 49.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 0.0 107.969 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.402 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 8.8 mm-40 -83.07 -7.98 59.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.587 HD12 ' HA ' ' A' ' 59' ' ' PHE . 14.8 mt -87.57 137.38 32.21 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 108.19 2.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.444 1.76 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.416 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 133.73 -9.86 4.91 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.513 HG11 ' CG2' ' A' ' 68' ' ' THR . 20.1 t -86.83 121.9 38.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.529 0.782 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.475 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 5.2 t80 -77.95 -39.15 43.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.174 . . . . 0.0 111.065 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -169.71 154.97 5.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.968 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.513 ' CG2' HG11 ' A' ' 65' ' ' VAL . 69.3 p -132.22 171.15 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.404 1.065 . . . . 0.0 110.362 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.863 ' HB1' ' OE1' ' A' ' 187' ' ' GLN . . . -165.22 148.05 8.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -101.53 139.64 36.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -160.84 -162.38 12.52 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -150.01 155.56 40.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 0.727 . . . . 0.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 74' ' ' GLY . 1.0 OUTLIER -171.67 174.0 4.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.373 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.45 ' N ' ' OG1' ' A' ' 73' ' ' THR . . . 98.09 -13.93 62.98 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.439 1.087 . . . . 0.0 111.025 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.546 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -85.18 -173.2 49.68 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -112.82 -21.15 11.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 0.733 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.446 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 39.2 m -74.87 117.57 63.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.357 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 132.06 14.96 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.521 1.8 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.431 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 5.0 m120 54.98 63.74 6.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.241 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.566 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -75.03 172.68 15.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.55 1.816 . . . . 0.0 111.011 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 85' ' ' VAL . 67.2 p -119.88 154.01 35.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 110.388 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -56.26 -34.31 66.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -69.05 -48.64 62.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -67.52 -41.88 83.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 81' ' ' THR . 52.8 t -56.09 -38.04 51.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.228 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.43 ' HA ' ' OE1' ' A' ' 133' ' ' GLN . 18.0 t -70.59 -32.05 69.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 m -66.42 -38.68 88.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.69 12.22 57.11 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.465 1.103 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -84.02 -21.59 31.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 0.0 109.364 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.4 p -81.56 -18.27 45.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.412 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.94 17.36 54.82 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.447 1.092 . . . . 0.0 111.037 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.566 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 38.2 m-70 -86.59 155.72 20.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 0.812 . . . . 0.0 109.625 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -113.07 156.98 22.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -82.1 109.71 16.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -121.06 167.99 12.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 69' ' ' ALA . 76.1 t -140.01 134.69 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -89.95 118.13 29.28 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.656 HD11 ' CE2' ' A' ' 59' ' ' PHE . 4.6 mp -113.9 129.61 69.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.43 1.081 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.681 HG22 ' CG1' ' A' ' 44' ' ' ILE . 91.0 t -119.38 100.29 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.219 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.494 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 23.7 p90 -126.75 177.39 6.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.468 ' CB ' ' HE2' ' A' ' 42' ' ' MET . 0.0 OUTLIER -112.78 135.75 21.6 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.4 Cg_endo -75.07 -0.49 10.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.3 m -93.15 -23.86 18.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.416 HG11 ' HA2' ' A' ' 64' ' ' GLY . 76.9 t -99.27 -48.74 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.453 HG23 ' CD1' ' A' ' 100' ' ' TYR . 16.8 tt -122.41 162.05 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.392 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.6 p -117.71 153.67 32.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.506 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 15.9 p90 -58.22 -28.52 64.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.506 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -67.85 -38.7 83.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.578 1.174 . . . . 0.0 110.271 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -65.04 -44.89 87.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.494 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 36.3 mt -58.67 -51.89 68.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.41 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 9.3 mt -60.3 -47.58 85.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -53.32 -53.51 49.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.362 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.469 HG11 HD11 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -61.93 -44.53 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -55.86 -52.56 63.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.529 ' CZ2' HD11 ' A' ' 138' ' ' ILE . 84.5 m95 -63.07 -16.33 59.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 107.985 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -86.08 -35.99 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.47 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 0.8 OUTLIER -92.94 -0.13 57.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.495 ' CG ' ' N ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -73.53 174.88 7.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 109.619 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.495 ' N ' ' CG ' ' A' ' 118' ' ' HIS . 8.4 m-20 -117.4 144.48 34.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 159.85 40.86 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.514 1.797 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.546 1.154 . . . . 0.0 109.258 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' A' ' 86' ' ' SER . 14.8 pt20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 23.8 p90 -117.75 133.84 55.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 111.059 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.1 ptp85 -146.2 174.67 11.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.362 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 12.4 m -96.24 117.36 30.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.067 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -151.53 158.99 44.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.833 HG22 ' HD3' ' A' ' 140' ' ' PRO . 77.3 mt -118.59 133.17 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.428 ' HB2' HG22 ' A' ' 46' ' ' ILE . 83.3 m-85 -130.1 75.17 79.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 1.052 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 17.9 Cg_endo -75.03 167.31 27.31 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.479 1.778 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' A' ' 176' ' ' ALA . 0.3 OUTLIER -114.09 -52.77 2.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 58.8 p -71.64 159.0 86.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 110.387 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.44 2.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.421 1.748 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -38.55 91.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -64.78 -42.13 95.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -41.87 98.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.619 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -71.26 -32.3 68.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -74.86 -37.69 62.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.254 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -65.82 -58.77 4.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -60.3 -28.89 68.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.619 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -69.62 -35.64 75.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 78.1 p -74.04 -49.95 21.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.052 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.777 HD23 ' C ' ' A' ' 153' ' ' LEU . 0.4 OUTLIER -59.14 -44.47 92.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 154' ' ' GLU . . . . . 0.606 ' N ' HD23 ' A' ' 153' ' ' LEU . 1.2 tp10 -52.98 -38.64 62.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.386 1.054 . . . . 0.0 110.345 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -83.85 -35.15 24.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.429 ' CE1' ' HB3' ' A' ' 115' ' ' TRP . 2.2 t80 -61.35 -47.17 87.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.969 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 157' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 160' ' ' MET . 1.8 pt20 -63.16 -31.73 72.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.357 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.39 -33.08 69.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.45 -49.18 78.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.486 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 5.6 ptm -68.32 -32.77 73.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.486 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -66.04 -43.86 86.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.378 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.52 -23.3 66.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -85.61 -3.83 58.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.8 OUTLIER 77.76 31.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.366 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -91.89 110.68 22.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -87.55 12.46 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -106.27 89.68 3.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.423 ' HA ' ' CE ' ' A' ' 160' ' ' MET . 9.0 p-80 -73.74 145.75 44.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.606 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.11 141.65 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 40.3 p -89.41 41.17 1.02 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.371 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 5.9 t -93.09 133.41 36.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.402 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.64 133.2 54.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 173' ' ' ILE . . . . . 0.641 HD11 HD13 ' A' ' 153' ' ' LEU . 12.2 mt -105.18 121.31 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -136.21 166.17 24.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 109.348 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -49.75 159.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 176' ' ' ALA . . . . . 1.052 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -74.03 82.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 2.0 p -59.4 163.65 6.21 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.367 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 115.23 4.22 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.406 1.74 . . . . 0.0 111.029 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.3 OUTLIER -78.51 140.46 38.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -119.57 109.61 15.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.405 1.065 . . . . 0.0 110.967 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -41.06 155.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -109.83 173.11 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 183' ' ' GLU . . . . . 0.48 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 2.0 tp10 -38.66 131.56 1.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.235 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -53.53 -22.49 8.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -44.94 34.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 186' ' ' HIS . . . . . 0.48 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 39.2 m-70 -65.55 -45.14 84.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.634 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 0.863 ' OE1' ' HB1' ' A' ' 69' ' ' ALA . 7.5 mt-30 -53.58 131.9 39.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 187' ' ' GLN . 0.0 OUTLIER 39.23 50.22 1.88 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.482 1.113 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.635 ' CE1' ' CH2' ' A' ' 53' ' ' TRP . 3.3 t80 -83.82 -31.06 26.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 20.7 tp -75.44 -23.39 56.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.701 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -56.26 -30.6 62.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.615 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -71.09 -31.39 67.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -139.35 102.08 7.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.564 1.823 . . . . 0.0 111.083 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 110.925 -0.452 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.0 mtp -79.01 120.42 80.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 125.3 9.21 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.511 1.795 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.51 HG21 ' CG ' ' A' ' 181' ' ' TYR . 11.0 t -139.78 150.59 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.445 ' O ' HG12 ' A' ' 24' ' ' VAL . . . -77.61 164.91 24.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.554 HG22 HD13 ' A' ' 27' ' ' LEU . 8.9 m -88.33 -45.02 10.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.554 HD13 HG22 ' A' ' 26' ' ' THR . 0.3 OUTLIER -104.76 157.56 17.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -70.86 158.44 36.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.615 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.678 ' HB2' ' OE1' ' A' ' 188' ' ' GLN . . . -85.73 -33.12 21.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.43 HG21 ' CE2' ' A' ' 60' ' ' TRP . 61.0 t -92.33 -66.62 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 66' ' ' TYR . 53.5 t30 -54.16 -36.64 63.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.07 29.29 70.71 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.48 1.113 . . . . 0.0 111.036 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.73 170.08 16.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 0.786 . . . . 0.0 109.645 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 m -39.79 138.48 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.17 -62.1 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.2 p -70.93 -45.14 64.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.379 1.05 . . . . 0.0 110.4 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -55.3 132.46 47.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.376 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.908 HG21 HD11 ' A' ' 44' ' ' ILE . 2.7 t -127.81 112.91 20.55 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 148.23 35.27 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.02 133.69 51.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.368 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.4 -12.86 33.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.7 mmt -103.39 161.88 13.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 0.803 . . . . 0.0 111.047 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -137.62 160.65 38.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.908 HD11 HG21 ' A' ' 38' ' ' VAL . 3.4 mt -115.52 150.89 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.593 ' HB1' ' CE2' ' A' ' 47' ' ' PHE . . . -140.39 130.81 25.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.5 mt -110.54 128.92 66.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.218 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.645 ' HE1' HG23 ' A' ' 138' ' ' ILE . 51.5 m-85 -148.06 152.35 37.23 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.566 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -123.9 115.26 21.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.96 -177.39 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -54.7 -95.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.487 ' O ' HG21 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -62.86 -179.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 6.0 p90 -137.3 -45.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -61.94 -45.51 93.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 108.003 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.49 -41.08 21.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.516 HG12 ' CD2' ' A' ' 59' ' ' PHE . 90.3 t -59.39 -55.38 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.496 ' O ' ' CE3' ' A' ' 60' ' ' TRP . 1.4 tt0 -54.69 -38.66 67.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.551 ' HA ' ' CZ3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -72.16 -34.76 68.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.33 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -35.06 62.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.523 ' CD1' HG12 ' A' ' 98' ' ' ILE . 0.9 OUTLIER -62.74 -65.54 0.67 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.551 ' CZ3' ' HA ' ' A' ' 57' ' ' ARG . 0.6 OUTLIER -56.3 -21.75 26.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.478 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 4.3 mm-40 -76.29 -20.45 57.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.243 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.511 HD23 ' HD2' ' A' ' 63' ' ' PRO . 1.6 tt -67.94 139.35 93.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.511 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.4 Cg_endo -74.97 114.58 4.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 0.0 111.058 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.469 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 124.75 -13.86 7.65 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.1 t -88.68 124.09 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.416 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.8 OUTLIER -77.97 -47.58 18.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 p -162.72 163.03 27.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.934 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.7 p -142.98 169.79 16.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.449 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.61 139.39 16.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.78 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -98.16 129.91 44.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.48 ' HA2' ' N ' ' A' ' 182' ' ' ALA . . . -150.59 -166.88 13.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 111.056 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.604 ' CE2' ' HA ' ' A' ' 182' ' ' ALA . 4.8 m-85 -122.31 152.12 40.42 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.528 0.781 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.477 HG23 ' C ' ' A' ' 72' ' ' TYR . 77.7 p -154.46 171.28 19.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.411 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.52 -20.5 30.61 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.589 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -83.28 -172.46 48.74 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 14.1 m-85 -113.66 -25.68 8.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.7 m -75.7 119.28 76.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.343 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.417 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -74.96 138.79 23.59 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 111.072 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.49 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 7.0 p-10 41.66 60.47 8.7 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.568 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -75.01 178.1 7.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.505 1.792 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.557 ' O ' HG23 ' A' ' 85' ' ' VAL . 68.7 m -107.67 153.89 22.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -60.6 -38.3 84.19 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.66 -46.99 88.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.9 -41.63 82.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.349 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 81' ' ' THR . 27.0 t -52.91 -47.45 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.235 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -28.31 69.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.022 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.35 -33.98 76.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.55 13.16 73.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.536 1.148 . . . . 0.0 110.99 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.84 4.6 49.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 0.777 . . . . 0.0 109.271 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.7 p -110.97 -18.89 12.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.347 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.94 17.71 61.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 111.075 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.589 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 17.6 m-70 -82.25 163.33 21.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 0.0 109.621 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -130.25 175.2 9.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.566 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 66.1 mm-40 -77.75 125.17 28.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.621 1.2 . . . . 0.0 110.338 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -151.53 153.66 35.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.78 HG12 ' HA ' ' A' ' 70' ' ' ALA . 3.1 m -139.57 153.27 23.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.513 ' C ' HD12 ' A' ' 98' ' ' ILE . 4.6 ttm180 -105.54 136.81 44.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.523 HG12 ' CD1' ' A' ' 59' ' ' PHE . 4.7 mp -128.67 128.07 67.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.623 HG13 HG13 ' A' ' 44' ' ' ILE . 3.2 t -116.11 105.16 17.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.438 ' CD2' HG23 ' A' ' 105' ' ' ILE . 17.6 p90 -128.98 173.29 10.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.45 130.54 25.51 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.435 1.084 . . . . 0.0 109.243 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.11 10.79 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.536 1.808 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.46 -13.68 15.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.004 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.469 HG11 ' HA2' ' A' ' 64' ' ' GLY . 47.4 t -96.54 -47.14 12.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.438 HG23 ' CD2' ' A' ' 100' ' ' TYR . 17.7 tt -129.28 166.19 27.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.389 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.8 p -111.31 153.07 26.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 110.007 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 26.0 p90 -58.09 -38.18 75.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 111.066 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.637 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 1.1 tt0 -57.59 -38.86 75.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -65.95 -44.2 85.74 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.9 mt -60.87 -44.75 96.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.625 HD21 HD13 ' A' ' 138' ' ' ILE . 0.4 OUTLIER -65.82 -41.22 92.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -53.33 -54.49 35.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.498 HG21 HD11 ' A' ' 62' ' ' LEU . 84.7 t -59.99 -44.57 94.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 118' ' ' HIS . 24.0 t80 -55.02 -51.2 67.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 111.025 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -67.71 -19.45 65.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -80.6 -38.1 29.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -94.65 -5.21 46.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.54 ' CE1' ' OD1' ' A' ' 119' ' ' ASP . 44.4 t60 -71.25 165.17 24.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.576 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.54 ' OD1' ' CE1' ' A' ' 118' ' ' HIS . 12.4 p-10 -102.03 147.04 33.35 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 158.71 41.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.544 1.812 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 167' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.534 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 28.4 p90 -112.21 125.85 54.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.24 163.27 30.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 171' ' ' THR . 33.3 p -98.26 97.18 8.61 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -130.04 155.15 46.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.376 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.818 HG22 ' HD3' ' A' ' 140' ' ' PRO . 47.1 mt -120.75 133.45 67.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.378 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -130.28 78.18 74.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.17 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.818 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.4 Cg_endo -74.96 169.62 22.22 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.438 1.757 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.427 HD22 ' C ' ' A' ' 140' ' ' PRO . 2.8 mm? -110.21 -49.72 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.417 ' OG1' ' CG ' ' A' ' 145' ' ' GLN . 77.9 p -77.07 161.75 72.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -33.88 4.32 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.481 1.78 . . . . 0.0 111.047 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.19 -46.49 83.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.417 ' CG ' ' OG1' ' A' ' 142' ' ' THR . 88.3 mt-30 -57.8 -46.51 84.53 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.131 . . . . 0.0 110.246 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.26 -46.08 76.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 151' ' ' ALA . . . -63.69 -45.56 89.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.482 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -63.54 -36.68 84.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -63.49 -59.07 5.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -64.2 -35.75 81.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 147' ' ' ALA . . . -60.39 -35.35 75.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 53.5 p -77.8 -33.32 52.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.046 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 153' ' ' LEU . 3.0 tt -68.3 -51.2 47.38 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -24.25 65.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.16 -56.78 4.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -60.65 -39.19 87.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' GLN . . . . . 0.471 ' O ' ' CG ' ' A' ' 160' ' ' MET . 5.5 tt0 -62.05 -45.18 94.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.85 -32.22 67.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.24 -49.37 77.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.496 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 5.5 ptm -67.92 -32.64 73.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.394 1.059 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.496 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -61.87 -39.55 92.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.7 -19.63 65.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -89.01 -2.96 58.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 74.28 32.02 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.4 121.85 41.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.87 17.44 7.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 167' ' ' ARG . . . . . 0.408 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 65.6 mtt180 -95.3 69.12 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.406 ' CA ' ' HE1' ' A' ' 160' ' ' MET . 0.0 OUTLIER -69.1 140.78 54.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.645 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.7 mp -73.85 126.98 35.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 4.2 p -86.89 49.2 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.38 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 136' ' ' SER . 1.3 m -90.01 136.01 33.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.414 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -121.3 132.04 54.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.088 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 14.4 mt -109.19 126.13 66.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -141.61 164.21 30.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.246 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -46.06 167.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 176' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -87.96 89.2 7.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 177' ' ' THR . . . . . 0.448 ' HB ' ' HD2' ' A' ' 178' ' ' PRO . 6.7 p -65.98 170.01 5.89 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 178' ' ' PRO . . . . . 0.448 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -75.15 110.99 3.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 0.0 110.976 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -76.26 135.62 39.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 111.054 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 180' ' ' TYR . . . . . 0.417 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 15.8 m-85 -121.21 118.58 29.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.51 ' CG ' HG21 ' A' ' 24' ' ' VAL . 61.0 m-85 -37.67 159.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.093 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.604 ' HA ' ' CE2' ' A' ' 72' ' ' TYR . . . -93.74 -66.38 0.92 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -163.58 147.47 10.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.41 -21.83 66.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.24 -40.3 30.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -81.03 -32.41 34.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.55 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 0.471 ' C ' ' CG ' ' A' ' 188' ' ' GLN . 2.2 tp60 -55.07 116.35 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.344 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.678 ' OE1' ' HB2' ' A' ' 29' ' ' ALA . 0.7 OUTLIER 43.64 55.55 4.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.36 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.46 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 63.4 t80 -85.81 -49.57 7.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.061 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 9.1 tp -55.63 -22.39 22.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.217 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.479 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -55.5 -35.79 65.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 0.0 109.639 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 192' ' ' LYS . . . . . 0.427 ' HG2' ' ND2' ' A' ' 193' ' ' ASN . 32.9 pttt -90.06 -22.82 21.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.082 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.3 OUTLIER -122.8 90.88 49.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.231 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.539 1.81 . . . . 0.0 111.016 179.923 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.945 0 N-CA-C 110.981 -0.43 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.16 150.57 96.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.597 1.186 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 143.63 29.16 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.464 1.77 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.724 HG11 ' CE1' ' A' ' 181' ' ' TYR . 55.2 t -139.15 128.23 29.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.279 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -42.18 156.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 m -80.24 -45.13 18.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.493 HD12 ' N ' ' A' ' 34' ' ' SER . 0.5 OUTLIER -98.9 155.73 17.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.584 ' CE1' ' OE1' ' A' ' 188' ' ' GLN . 25.9 t-80 -71.07 163.88 26.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.645 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.783 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -87.13 -30.32 21.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.575 HG21 ' CE2' ' A' ' 60' ' ' TRP . 69.3 t -95.41 -67.79 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 32.2 m-80 -55.1 -36.01 65.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 69.26 25.04 75.79 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.559 1.162 . . . . 0.0 110.996 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.596 ' CG ' ' N ' ' A' ' 34' ' ' SER . 13.5 t60 -126.89 170.13 12.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.561 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.596 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 3.1 m -42.81 132.77 3.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.052 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.37 -64.39 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 37' ' ' ASN . 4.3 t -61.64 -51.89 66.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.454 ' N ' HG23 ' A' ' 36' ' ' THR . 1.4 m-20 -54.87 126.05 22.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.677 HG13 ' HB3' ' A' ' 42' ' ' MET . 2.6 t -111.56 134.45 21.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.242 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.575 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -75.02 147.93 34.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.812 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.47 112.57 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.31 10.48 23.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.677 ' HB3' HG13 ' A' ' 38' ' ' VAL . 3.7 tpt -100.52 161.02 13.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 0.756 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -141.52 145.48 35.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.674 HD11 HG21 ' A' ' 38' ' ' VAL . 3.5 mp -106.57 145.36 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -123.19 129.54 51.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 3.6 mt -118.53 131.89 70.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 1.011 ' CZ ' HD13 ' A' ' 98' ' ' ILE . 0.5 OUTLIER -156.97 165.82 35.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.935 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -136.43 114.54 11.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.474 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 1.6 ptm -148.48 131.96 16.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 110.984 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 49' ' ' MET . . . 34.6 -146.95 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.419 1.075 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.0 p -61.1 173.93 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.486 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 7.5 p90 -127.98 -1.55 5.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.465 ' C ' HD12 ' A' ' 190' ' ' LEU . 10.6 m0 -87.93 -50.66 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 107.957 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.44 -34.31 40.71 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.544 1.153 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.732 HG22 ' ND2' ' A' ' 117' ' ' ASN . 62.1 t -71.04 -54.02 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.739 . . . . 0.0 109.364 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.486 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 15.0 tt0 -48.03 -51.37 24.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.813 ' HD3' HD13 ' A' ' 190' ' ' LEU . 2.1 ptt180 -64.23 -24.97 67.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.423 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -78.29 -24.79 46.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.836 ' CZ ' ' CE2' ' A' ' 47' ' ' PHE . 5.6 m-85 -84.4 -57.82 3.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.044 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.728 ' HA ' HG11 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -55.66 -26.82 46.57 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.493 1.12 . . . . 0.0 107.986 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 73.2 mt-30 -76.09 -9.91 59.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.342 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.561 HD11 HG21 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -79.18 144.63 63.1 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 124.01 8.28 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.439 ' O ' ' HA ' ' A' ' 100' ' ' TYR . . . 117.5 -16.66 12.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 0.0 111.06 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.728 HG11 ' HA ' ' A' ' 60' ' ' TRP . 47.7 t -76.63 110.0 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CE2' ' HG3' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -75.37 -47.94 25.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.961 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.0 m -144.44 152.01 40.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.843 HG23 HG13 ' A' ' 98' ' ' ILE . 2.4 m -137.13 140.28 41.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.335 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.424 ' HA ' ' NE2' ' A' ' 187' ' ' GLN . . . -139.69 166.03 25.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.903 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -132.31 140.53 48.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 0.0 109.268 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.814 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -164.08 -155.68 8.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -132.24 168.91 17.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -175.77 161.93 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.36 -18.14 55.82 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.558 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -85.8 -176.18 50.15 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -114.97 -19.78 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 111.051 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 1.2 m -74.87 121.6 85.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.173 . . . . 0.0 110.413 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 141.06 26.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.455 1.766 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.425 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 37.7 t30 42.44 63.7 6.78 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.571 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -74.97 161.96 37.98 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.1 p -110.14 153.39 24.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -54.69 -35.55 63.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -63.41 -47.49 81.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.173 . . . . 0.0 110.326 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.46 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 49.8 mt-10 -72.31 -45.1 61.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.6 t -51.53 -38.82 21.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.4 t -72.24 -33.62 67.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.088 . . . . 0.0 110.019 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.6 m -63.74 -39.55 94.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.944 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.01 8.35 59.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.449 1.093 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -80.78 -17.36 51.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.46 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 8.5 p -88.77 -19.42 26.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.387 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.13 15.34 58.44 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.571 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 30.5 m-70 -83.71 151.3 25.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.77 . . . . 0.0 109.588 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -121.46 168.5 11.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.463 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 0.2 OUTLIER -70.24 129.32 39.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -156.31 151.37 26.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.903 HG12 ' HA ' ' A' ' 70' ' ' ALA . 4.8 m -140.68 164.92 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.773 ' C ' HD12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -126.13 122.24 35.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.011 HD13 ' CZ ' ' A' ' 47' ' ' PHE . 1.6 mp -111.69 132.28 60.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.516 HG22 ' CG1' ' A' ' 44' ' ' ILE . 11.6 t -109.55 108.84 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.439 ' HA ' ' O ' ' A' ' 64' ' ' GLY . 8.5 p90 -128.48 172.27 11.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.421 ' N ' ' HE3' ' A' ' 42' ' ' MET . 0.4 OUTLIER -112.26 133.05 21.83 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.424 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.4 Cg_endo -74.95 -1.09 10.76 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.498 1.789 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.09 -25.33 19.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 110.038 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 77.4 t -109.05 -49.15 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.65 HD11 ' CG ' ' A' ' 109' ' ' GLN . 0.2 OUTLIER -121.93 131.28 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.561 ' N ' HD13 ' A' ' 105' ' ' ILE . 3.5 p -98.44 150.82 21.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.669 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 2.3 p90 -63.76 -36.63 84.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.669 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 15.6 tt0 -53.11 -48.61 67.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.65 ' CG ' HD11 ' A' ' 105' ' ' ILE . 2.0 pt20 -63.36 -36.91 85.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.474 HD21 HD22 ' A' ' 62' ' ' LEU . 17.2 mt -58.72 -49.51 77.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.432 ' HB3' ' CZ2' ' A' ' 115' ' ' TRP . 26.8 mt -50.88 -39.31 53.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.45 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -63.11 -34.73 78.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.561 HG21 HD11 ' A' ' 62' ' ' LEU . 14.0 t -74.86 -37.58 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 118' ' ' HIS . 7.9 m-85 -54.46 -53.16 57.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.574 ' CZ2' ' HB2' ' A' ' 152' ' ' SER . 0.7 OUTLIER -61.31 -23.11 65.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 107.981 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.58 -38.24 70.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.732 ' ND2' HG22 ' A' ' 55' ' ' VAL . 1.1 t30 -95.04 -14.48 24.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.556 ' HD1' ' N ' ' A' ' 119' ' ' ASP . 16.1 t-80 -69.76 148.67 48.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.643 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.556 ' N ' ' HD1' ' A' ' 118' ' ' HIS . 6.9 m-20 -112.23 155.56 43.35 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.162 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 160.54 39.97 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 167' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -126.91 125.3 41.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -147.32 92.99 2.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 73.7 m -60.82 91.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -133.99 163.92 28.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.883 HG22 ' HD3' ' A' ' 140' ' ' PRO . 30.0 mt -122.85 130.45 74.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.406 ' HB3' ' HA ' ' A' ' 176' ' ' ALA . 27.9 m-85 -122.87 75.45 48.16 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 111.047 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.883 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.2 Cg_endo -74.98 169.65 22.16 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.875 HD22 ' CB ' ' A' ' 176' ' ' ALA . 0.2 OUTLIER -109.16 -55.44 2.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.6 p -67.97 157.29 87.33 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -42.61 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.544 1.813 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.36 -38.67 80.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.366 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -68.57 -35.51 77.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.178 . . . . 0.0 110.339 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -49.24 61.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.377 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -65.9 -35.44 80.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.9 -45.98 59.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.41 -56.57 18.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 151' ' ' ALA . 8.6 ptp180 -60.52 -34.33 73.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.351 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -60.27 -45.44 93.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.394 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 23.1 p -59.07 -43.55 91.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.942 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.455 HD23 ' C ' ' A' ' 153' ' ' LEU . 6.1 tt -53.5 -50.37 65.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -52.53 -46.78 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -40.4 74.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -59.84 -48.1 83.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 158' ' ' ALA . 1.2 pt20 -70.03 -26.07 63.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 158' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 157' ' ' GLN . . . -68.73 -46.95 67.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 162' ' ' ALA . . . -64.3 -42.8 96.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.417 ' C ' ' SD ' ' A' ' 160' ' ' MET . 14.5 tmm? -60.64 -48.15 83.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.587 HD22 ' O ' ' A' ' 165' ' ' ASP . 0.1 OUTLIER -64.38 -30.07 71.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 159' ' ' ALA . . . -61.85 -20.06 63.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -89.26 14.46 10.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 2.5 t70 58.7 31.05 20.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' ASP . . . . . 0.587 ' O ' HD22 ' A' ' 161' ' ' LEU . 1.2 m-20 -104.49 136.01 44.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.383 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -98.13 8.45 44.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.205 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 167' ' ' ARG . . . . . 0.43 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 1.3 mtm-85 -80.19 72.65 7.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.43 1.081 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -66.45 142.5 57.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.658 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.4 mp -78.77 131.01 35.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 27.1 p -85.71 48.21 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.424 HG22 HD12 ' A' ' 153' ' ' LEU . 3.2 m -90.73 124.25 34.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.384 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.84 140.52 52.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.604 1.19 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.1 mp -117.88 127.59 75.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -140.34 171.74 13.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.077 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -42.76 164.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 176' ' ' ALA . . . . . 0.875 ' CB ' HD22 ' A' ' 141' ' ' LEU . . . -86.93 87.85 7.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 177' ' ' THR . . . . . 0.421 ' H ' HG23 ' A' ' 177' ' ' THR . 30.1 p -59.66 164.23 5.89 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 178' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.3 Cg_endo -74.9 117.53 4.96 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.768 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.574 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -76.59 141.77 40.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 180' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 181' ' ' TYR . 40.3 m-85 -119.37 105.38 11.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.724 ' CE1' HG11 ' A' ' 24' ' ' VAL . 18.4 m-85 -35.72 150.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.814 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -107.91 173.52 6.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -44.1 141.54 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -54.97 -36.34 65.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.71 -42.98 89.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -68.26 -46.26 70.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.567 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 187' ' ' GLN . 14.6 tp60 -49.46 112.65 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.276 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.783 ' OE1' ' HB3' ' A' ' 29' ' ' ALA . 10.0 mt-30 49.42 58.73 5.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 189' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -82.06 -37.99 25.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.813 HD13 ' HD3' ' A' ' 57' ' ' ARG . 0.5 OUTLIER -72.45 -27.94 62.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.536 ' CE1' ' HG2' ' A' ' 192' ' ' LYS . 0.0 OUTLIER -57.07 -38.85 73.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.616 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 192' ' ' LYS . . . . . 0.536 ' HG2' ' CE1' ' A' ' 191' ' ' HIS . 9.8 mmmt -65.02 -42.75 94.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.807 ' O ' HD23 ' A' ' 190' ' ' LEU . 0.0 OUTLIER -120.38 103.9 43.76 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 110.961 -0.438 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.498 ' CE ' HG23 ' A' ' 81' ' ' THR . 0.7 OUTLIER -71.59 150.98 93.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.94 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 128.59 11.6 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.44 HG21 ' CD2' ' A' ' 181' ' ' TYR . 3.0 t -123.06 136.24 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.15 153.21 42.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.651 HG22 HD13 ' A' ' 27' ' ' LEU . 18.2 m -78.5 -44.1 25.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.651 HD13 HG22 ' A' ' 26' ' ' THR . 0.0 OUTLIER -103.45 132.28 49.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.575 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 25.4 t-80 -44.44 160.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.601 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.506 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -84.51 -29.69 25.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 1.048 HG11 ' CE2' ' A' ' 60' ' ' TRP . 55.3 t -95.39 -66.34 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -54.83 -39.96 69.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.36 19.61 79.37 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.472 ' CG ' ' N ' ' A' ' 34' ' ' SER . 5.9 t-80 -122.99 162.67 21.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 0.722 . . . . 0.0 109.627 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.472 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 1.0 OUTLIER -42.34 142.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.8 mtp -98.33 -60.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.1 t -60.65 -47.68 85.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.415 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.436 ' HB2' ' CB ' ' A' ' 34' ' ' SER . 3.5 m-80 -54.32 125.63 20.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 0.0 109.217 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.697 HG21 HD11 ' A' ' 44' ' ' ILE . 17.3 t -116.17 117.23 39.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 146.19 32.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.778 . . . . 0.0 111.044 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.99 131.66 47.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 109.274 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.33 2.15 59.08 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.521 ' HG2' HG12 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -108.17 151.51 25.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.584 0.814 . . . . 0.0 111.042 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -131.08 165.19 23.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.183 . . . . 0.0 110.238 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.697 HD11 HG21 ' A' ' 38' ' ' VAL . 3.0 mt -115.92 152.61 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -149.88 136.96 19.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.175 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.527 HG22 ' HD2' ' A' ' 139' ' ' TYR . 71.0 mt -114.83 138.4 45.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -148.88 147.53 28.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 111.077 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -129.47 115.02 16.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 0.0 109.34 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.775 ' HB2' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -120.74 -176.73 3.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 111.033 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.79 -78.96 0.07 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.9 t -77.84 179.89 6.41 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.526 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -127.82 -43.49 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.675 ' HB3' HD23 ' A' ' 190' ' ' LEU . 14.0 m0 -71.45 -34.25 70.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.185 . . . . 0.0 108.109 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.11 -48.98 7.2 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.775 HG11 ' HB2' ' A' ' 49' ' ' MET . 70.9 t -63.13 -51.18 74.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HB2' HG11 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -55.22 -50.43 69.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.342 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -69.07 -26.77 65.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.416 1.073 . . . . 0.0 110.321 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.447 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -68.33 -33.76 74.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.584 1.177 . . . . 0.0 109.335 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.72 ' CE2' HG12 ' A' ' 55' ' ' VAL . 16.8 m-85 -68.42 -47.82 66.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 1.048 ' CE2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -67.37 -55.85 12.09 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.525 ' N ' ' CG ' ' A' ' 60' ' ' TRP . 2.7 mt-30 -48.81 -22.25 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.248 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.835 HD13 ' HD2' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -72.87 142.64 83.39 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.835 ' HD2' HD13 ' A' ' 62' ' ' LEU . 18.4 Cg_endo -75.01 116.94 4.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.451 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 122.81 -17.52 8.18 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.529 1.143 . . . . 0.0 111.06 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.689 HG21 ' O ' ' A' ' 59' ' ' PHE . 63.3 t -88.39 125.38 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 0.798 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.44 ' HB2' ' HE2' ' A' ' 42' ' ' MET . 0.2 OUTLIER -79.1 -56.86 4.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.932 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.4 p -152.31 166.32 32.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.101 . . . . 0.0 109.945 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 71.5 p -144.04 149.68 37.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 0.0 110.37 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -128.02 138.66 52.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.887 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -97.79 139.1 34.16 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.412 ' CA ' ' O ' ' A' ' 180' ' ' TYR . . . -166.21 -162.97 18.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -142.78 163.37 32.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 0.0 111.053 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.475 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 10.0 t -168.71 160.46 10.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 110.397 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.33 -20.25 49.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.528 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -70.7 -178.75 26.75 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -115.09 -18.6 11.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.7 m -74.83 128.57 85.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 110.37 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -75.01 119.89 5.84 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.443 1.759 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 78' ' ' PRO . 8.6 t-20 40.0 65.6 3.7 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.561 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.02 176.09 10.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.544 1.813 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.498 HG23 ' CE ' ' A' ' 22' ' ' MET . 23.5 m -102.2 159.94 14.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 110.34 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -52.82 -48.62 66.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -36.91 75.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -70.6 -41.45 72.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.56 -46.06 76.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -29.36 68.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.423 1.077 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.1 t -71.36 -39.89 70.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.8 12.43 57.97 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.505 1.128 . . . . 0.0 111.044 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -84.29 5.75 25.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.3 p -113.38 -25.51 8.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.356 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.21 29.55 66.32 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.481 1.113 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.561 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 18.6 m-70 -82.99 155.52 23.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.623 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 73' ' ' THR . . . -112.55 142.31 45.28 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.72 110.81 7.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.03 153.75 51.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.887 HG12 ' HA ' ' A' ' 70' ' ' ALA . 34.8 m -140.03 149.85 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 179' ' ' PHE . 2.1 ttm180 -93.38 145.07 24.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.529 HG12 ' CG ' ' A' ' 59' ' ' PHE . 3.5 mp -135.62 117.81 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.587 HG22 ' CG1' ' A' ' 44' ' ' ILE . 58.4 t -110.03 106.34 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 9.0 p90 -127.08 177.46 6.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.548 1.155 . . . . 0.0 110.964 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.57 133.05 20.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.4 Cg_endo -75.01 0.55 8.78 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.6 -26.73 15.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 64.3 t -101.49 -50.23 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.796 HD11 ' CD2' ' A' ' 110' ' ' LEU . 3.7 tt -119.3 143.59 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 p -115.52 155.52 27.37 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 16.0 p90 -63.36 -24.65 67.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.403 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.2 tt0 -65.06 -45.26 86.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.413 ' OE1' ' HA ' ' A' ' 105' ' ' ILE . 6.0 pt20 -72.65 -39.42 67.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.796 ' CD2' HD11 ' A' ' 105' ' ' ILE . 16.0 mt -58.98 -52.0 67.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.358 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.636 HD23 ' N ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -59.98 -29.18 68.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.636 ' N ' HD23 ' A' ' 111' ' ' LEU . 9.4 mt-30 -72.1 -44.79 62.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -71.92 -34.21 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -61.98 -42.82 99.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.817 ' HZ3' HG21 ' A' ' 171' ' ' THR . 35.3 m95 -75.02 -14.24 60.58 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -86.06 -17.61 34.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.461 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 0.6 OUTLIER -116.76 5.16 13.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.51 175.1 10.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.607 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 36.7 p30 -119.21 157.17 51.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 160.5 39.75 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.496 1.787 . . . . 0.0 111.013 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.417 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 29.0 p90 -126.4 125.22 41.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -130.35 163.68 26.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.0 t -83.88 109.45 17.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.934 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -144.83 148.71 34.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.992 HG22 ' HD3' ' A' ' 140' ' ' PRO . 66.9 mt -111.08 130.49 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.527 ' HD2' HG22 ' A' ' 46' ' ' ILE . 28.0 m-85 -126.18 71.05 69.74 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.992 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.4 Cg_endo -74.89 167.4 27.15 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.551 1.816 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.09 -60.99 1.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 0.0 109.293 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.761 HG23 ' HB2' ' A' ' 145' ' ' GLN . 0.1 OUTLIER -56.22 155.38 13.01 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -35.87 2.87 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -65.09 -35.45 81.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.09 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.761 ' HB2' HG23 ' A' ' 142' ' ' THR . 58.3 tt0 -67.8 -49.26 63.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 0.0 110.27 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.42 -35.71 63.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -73.44 -43.26 60.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.65 -46.48 85.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.466 ' HA ' HD12 ' A' ' 111' ' ' LEU . . . -55.79 -53.31 58.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.54 ' HG2' HD13 ' A' ' 173' ' ' ILE . 7.4 mtm180 -68.25 -29.28 68.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -61.36 -48.32 81.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 156' ' ' PHE . 1.8 p -56.72 -44.62 81.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.96 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.777 HD23 ' N ' ' A' ' 153' ' ' LEU . 0.4 OUTLIER -65.88 -37.39 85.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 0.0 109.3 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -49.37 -46.74 47.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 159' ' ' ALA . 0.0 OUTLIER -91.43 -52.58 4.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' A' ' 152' ' ' SER . 10.1 t80 -50.21 -51.35 44.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 157' ' ' GLN . . . . . 0.524 ' CB ' ' O ' ' A' ' 153' ' ' LEU . 39.4 tt0 -56.51 -44.08 80.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.83 -28.5 63.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 155' ' ' ARG . . . -65.67 -48.75 71.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.528 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 2.9 ptm -65.73 -32.03 73.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.528 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -68.2 -42.02 80.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.26 -19.39 65.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -82.03 1.87 33.7 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 3.6 t70 72.21 22.46 3.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.19 111.97 24.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.43 -1.87 39.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.62 79.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -49.95 153.27 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.66 140.19 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 7.1 p -98.23 1.94 47.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.393 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.817 HG21 ' HZ3' ' A' ' 115' ' ' TRP . 78.6 p -92.26 126.61 37.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.452 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.02 124.52 45.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 173' ' ' ILE . . . . . 0.54 HD13 ' HG2' ' A' ' 150' ' ' ARG . 2.9 mt -95.35 120.82 45.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -144.82 164.87 29.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -41.84 161.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 176' ' ' ALA . . . . . 0.493 ' HB1' HD12 ' A' ' 46' ' ' ILE . . . -89.86 86.76 6.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 18.4 p -59.83 160.88 13.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 0.0 110.342 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 98.71 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.503 1.791 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.592 ' CZ ' ' CE1' ' A' ' 181' ' ' TYR . 0.7 OUTLIER -79.0 139.68 38.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 180' ' ' TYR . . . . . 0.412 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 6.6 m-85 -95.5 123.69 39.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 111.072 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.592 ' CE1' ' CZ ' ' A' ' 179' ' ' PHE . 3.7 m-85 -51.42 157.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -110.48 167.72 10.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 183' ' ' GLU . . . . . 0.563 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 11.7 tp10 -40.02 146.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -64.75 -24.46 67.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.31 -39.0 68.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 186' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 43.6 m-70 -71.88 -44.21 64.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.571 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 0.431 ' HG2' ' HB3' ' A' ' 70' ' ' ALA . 10.9 mt-30 -57.29 125.61 23.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.575 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 4.1 mp0 54.7 47.23 22.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.502 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 12.2 t80 -85.15 -24.84 27.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 111.058 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.675 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -75.08 -46.27 35.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.356 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.784 ' CG ' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -58.75 -28.98 66.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.557 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -70.41 -31.71 69.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.244 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.7 OUTLIER -136.49 103.67 9.4 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.493 ' N ' HD22 ' A' ' 79' ' ' ASN . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.934 0 N-CA-C 110.99 -0.427 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.2 ptp -81.77 138.46 46.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.37 35.14 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.566 1.824 . . . . 0.0 111.018 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.512 HG21 ' CB ' ' A' ' 181' ' ' TYR . 25.6 t -130.49 146.02 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.76 150.0 4.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.658 HG22 HD13 ' A' ' 27' ' ' LEU . 3.5 m -81.21 -41.6 22.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.419 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.658 HD13 HG22 ' A' ' 26' ' ' THR . 0.2 OUTLIER -108.21 133.6 52.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.431 1.082 . . . . 0.0 109.367 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.544 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 20.6 t-80 -45.54 157.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.601 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.881 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -84.8 -26.53 27.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.89 HG11 ' CD2' ' A' ' 60' ' ' TRP . 51.8 t -95.67 -67.77 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -55.18 -39.42 69.54 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.511 1.132 . . . . 0.0 109.399 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.56 19.35 76.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.562 ' CG ' ' N ' ' A' ' 34' ' ' SER . 7.2 t-80 -126.25 169.86 12.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.658 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.562 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 16.7 m -38.86 138.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.051 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.12 -50.57 4.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 111.021 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.44 HG23 ' N ' ' A' ' 37' ' ' ASN . 6.9 t -67.45 -50.05 60.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 110.431 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.44 ' N ' HG23 ' A' ' 36' ' ' THR . 21.2 t-20 -54.84 143.43 25.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.647 HG13 ' HD2' ' A' ' 39' ' ' PRO . 54.4 t -126.32 140.99 38.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.647 ' HD2' HG13 ' A' ' 38' ' ' VAL . 18.7 Cg_endo -74.91 144.86 31.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.491 1.784 . . . . 0.0 111.075 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.23 120.33 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.09 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.55 8.58 52.1 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.445 1.091 . . . . 0.0 111.054 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.479 ' SD ' ' CA ' ' A' ' 101' ' ' ASP . 1.8 tpp -105.13 159.52 15.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.23 166.22 23.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.791 ' CG1' HG22 ' A' ' 99' ' ' VAL . 3.3 mt -111.82 154.73 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -145.78 129.9 17.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.507 HD12 ' HB1' ' A' ' 176' ' ' ALA . 55.7 mt -107.78 131.91 56.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -141.74 147.99 38.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.406 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -124.87 118.47 26.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.391 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.818 ' HB3' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -129.66 179.14 6.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.408 1.068 . . . . 0.0 111.044 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -56.53 -98.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.105 . . . . 0.0 111.008 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.2 p -73.7 89.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.447 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 37.8 p90 -58.37 -18.86 30.93 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.938 ' HB3' HD23 ' A' ' 190' ' ' LEU . 0.9 OUTLIER -67.78 -48.42 66.38 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -74.72 -40.72 36.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.818 HG21 ' HB3' ' A' ' 49' ' ' MET . 86.7 t -61.98 -57.1 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 0.743 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -40.84 50.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.373 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.477 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 32.9 ttt180 -74.13 -29.63 61.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.344 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.56 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -75.12 -38.39 61.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.586 ' CE2' HG12 ' A' ' 55' ' ' VAL . 2.0 m-85 -58.17 -52.2 66.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 111.021 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.89 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -69.07 -52.0 32.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 108.014 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.587 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 10.6 mm-40 -49.24 -22.12 0.97 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.925 HD13 ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -72.38 139.45 81.5 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.925 ' HD2' HD13 ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.0 114.64 4.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.461 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 126.58 -10.59 7.17 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.514 1.133 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.555 HG21 ' O ' ' A' ' 59' ' ' PHE . 38.1 t -94.63 127.56 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -79.86 -56.71 4.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.7 p -152.23 165.01 36.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 110.009 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 81.4 p -136.89 170.53 15.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.426 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.503 ' HB1' ' CD1' ' A' ' 181' ' ' TYR . . . -155.22 131.89 10.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -97.02 139.33 33.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -170.91 -160.36 19.22 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -140.89 164.74 29.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 0.786 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.1 t -166.6 164.72 16.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.37 -19.68 51.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.11 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.524 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -77.25 178.4 51.56 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -114.56 -18.62 11.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.789 . . . . 0.0 111.015 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.922 HG21 ' OE2' ' A' ' 84' ' ' GLU . 18.8 m -74.41 122.18 86.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 151.35 39.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 111.041 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.493 HD22 ' N ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER 40.58 63.3 5.61 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 17.9 Cg_endo -75.08 153.88 41.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 57.6 p -114.13 154.15 28.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -49.93 -41.61 46.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -65.65 -32.31 73.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.242 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.922 ' OE2' HG21 ' A' ' 77' ' ' THR . 4.7 tt0 -66.81 -45.35 78.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 39.7 t -54.73 -45.77 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -26.95 68.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 p -67.45 -40.01 85.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.09 10.62 85.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.135 . . . . 0.0 111.036 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.3 9.84 41.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.509 HG22 ' HG2' ' A' ' 84' ' ' GLU . 2.8 p -107.33 -24.35 11.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.369 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.0 14.43 70.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.524 ' CG ' ' HA3' ' A' ' 75' ' ' GLY . 30.4 m-70 -79.19 158.23 27.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 109.663 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -121.24 161.7 21.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.406 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 63.0 mm-40 -82.87 112.85 20.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.79 166.01 20.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.365 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.3 t -146.68 139.28 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 179' ' ' PHE . 18.3 ttm180 -97.56 141.65 30.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.523 HG12 ' CG ' ' A' ' 59' ' ' PHE . 4.6 mp -136.11 134.12 50.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.791 HG22 ' CG1' ' A' ' 44' ' ' ILE . 76.3 t -120.01 104.05 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.613 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 4.6 p90 -126.16 177.72 6.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.479 ' CA ' ' SD ' ' A' ' 42' ' ' MET . 0.6 OUTLIER -106.88 132.66 20.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -4.9 16.09 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.575 1.829 . . . . 0.0 110.98 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.88 -17.26 20.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.065 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.1 t -106.24 -47.04 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.816 HD11 ' CD1' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -116.87 152.13 18.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.439 ' N ' HG12 ' A' ' 105' ' ' ILE . 60.6 p -116.71 160.76 20.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.05 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.475 ' CG ' ' HG3' ' A' ' 145' ' ' GLN . 5.7 m-85 -70.62 -31.21 68.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.104 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 109' ' ' GLN . 9.0 pt-20 -63.06 -41.53 99.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.433 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 3.2 pt20 -75.95 -34.92 59.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.344 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.816 ' CD1' HD11 ' A' ' 105' ' ' ILE . 13.1 mt -60.86 -48.74 80.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.17 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.515 ' HB3' ' CE2' ' A' ' 115' ' ' TRP . 5.7 mt -68.4 -33.4 74.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.545 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 0.4 OUTLIER -53.8 -49.87 67.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.257 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.477 ' CG1' HD11 ' A' ' 58' ' ' LEU . 3.1 t -73.18 -33.33 41.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 118' ' ' HIS . 9.8 t80 -58.74 -49.08 78.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 152' ' ' SER . 3.2 m0 -62.71 -20.91 65.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 108.009 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -80.24 -36.41 34.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.442 ' HB3' ' HE2' ' A' ' 49' ' ' MET . 0.7 OUTLIER -95.53 -3.19 47.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.487 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 24.6 t-80 -77.37 165.18 24.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.562 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.487 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 12.9 t70 -107.91 143.92 28.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 160.06 40.74 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.429 1.752 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.469 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 40.4 p90 -117.62 127.17 53.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.13 167.36 20.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.467 ' CB ' ' CD2' ' A' ' 118' ' ' HIS . 17.7 p -94.53 98.74 11.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 110.055 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.407 ' HB3' ' CE1' ' A' ' 139' ' ' TYR . . . -129.93 160.06 34.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.798 HG22 ' HD3' ' A' ' 140' ' ' PRO . 42.0 mt -126.86 131.0 71.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.422 1.077 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.537 ' N ' ' CD1' ' A' ' 139' ' ' TYR . 3.5 m-85 -128.35 77.96 76.31 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.798 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.4 Cg_endo -74.94 166.68 28.72 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 176' ' ' ALA . 0.1 OUTLIER -110.63 -59.09 2.0 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 66.4 p -62.22 160.92 28.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -34.75 3.53 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -68.06 -49.85 58.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.346 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.475 ' HG3' ' CG ' ' A' ' 107' ' ' TYR . 12.9 tt0 -55.4 -39.7 70.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.35 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -54.09 46.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.09 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.726 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -60.91 -31.79 71.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.18 -50.56 26.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.593 ' HB1' HG21 ' A' ' 138' ' ' ILE . . . -56.55 -57.08 13.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.473 ' CG ' ' HA ' ' A' ' 147' ' ' ALA . 1.1 ppt_? -60.68 -31.67 70.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -61.9 -39.27 91.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 4.3 p -72.56 -32.32 65.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.978 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 153' ' ' LEU . 2.7 tt -63.92 -49.08 74.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -69.77 -20.65 63.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -81.22 -54.39 5.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -60.14 -39.69 87.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 160' ' ' MET . 0.3 OUTLIER -62.8 -44.28 96.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.15 -32.54 69.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.9 -48.74 79.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.519 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 7.1 ptm -68.1 -32.16 72.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.519 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -64.34 -35.73 81.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.38 -23.06 66.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -92.36 12.3 23.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 5.2 t0 57.9 34.8 24.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.73 121.45 39.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -88.41 13.02 12.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.51 69.68 9.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -66.41 137.19 56.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.31 138.43 21.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 2.1 t -95.49 43.33 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.3 m -80.91 125.54 30.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 110.421 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -112.37 136.65 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.252 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 19.9 mt -117.71 123.3 71.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.071 . . . . 0.0 109.276 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -144.88 163.25 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 109.34 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -47.58 163.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.237 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 176' ' ' ALA . . . . . 0.507 ' HB1' HD12 ' A' ' 46' ' ' ILE . . . -84.71 83.43 8.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 54.5 p -60.67 160.79 17.28 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.377 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 93.64 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.468 1.772 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -80.48 145.44 31.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.953 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -100.46 125.2 46.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 111.047 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.512 ' CB ' HG21 ' A' ' 24' ' ' VAL . 82.4 m-85 -47.26 172.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -118.11 172.02 7.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.579 1.174 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 183' ' ' GLU . . . . . 0.55 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 4.1 tt0 -43.91 141.65 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -61.42 -23.24 65.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.17 -44.67 71.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 186' ' ' HIS . . . . . 0.55 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 43.2 m-70 -76.25 -32.55 58.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.615 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 0.645 ' C ' ' HG2' ' A' ' 188' ' ' GLN . 27.7 mm-40 -45.89 111.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.881 ' OE1' ' HB3' ' A' ' 29' ' ' ALA . 5.1 pt20 37.5 60.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.332 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.734 ' CD1' ' CH2' ' A' ' 53' ' ' TRP . 46.3 t80 -85.48 -24.48 27.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.938 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -63.26 -46.59 86.13 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.507 ' CG ' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -58.91 -28.63 66.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.604 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.44 -28.76 59.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 193' ' ' ASN . . . . . 0.491 ' OD1' ' CE1' ' A' ' 189' ' ' TYR . 5.9 m120 -127.91 102.49 22.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.405 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.544 1.812 . . . . 0.0 111.06 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.043 -0.407 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 10.6 tpp -70.98 133.95 85.8 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.434 1.084 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 130.81 13.66 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.473 1.775 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.821 HG21 ' HB3' ' A' ' 181' ' ' TYR . 21.4 t -129.79 140.37 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.15 163.45 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 m -76.94 -31.28 56.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.399 1.062 . . . . 0.0 110.372 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.42 ' CB ' ' C ' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -136.85 154.12 50.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.576 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 11.8 t-80 -50.41 157.03 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.174 . . . . 0.0 109.592 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.663 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -85.52 -31.34 22.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.828 HG11 ' CD2' ' A' ' 60' ' ' TRP . 31.8 t -84.76 -69.25 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 66' ' ' TYR . 2.1 t-20 -55.19 -40.35 70.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.27 23.04 66.57 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.47 ' CG ' ' N ' ' A' ' 34' ' ' SER . 1.2 t-80 -129.68 162.09 29.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.733 . . . . 0.0 109.646 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.47 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 48.9 m -47.59 139.97 6.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.033 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.5 mtp -98.31 -65.15 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 110.966 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.2 t -49.99 -22.69 1.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.415 ' HB2' ' CB ' ' A' ' 34' ' ' SER . 20.0 m-20 -75.67 129.99 38.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.252 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.676 HG21 HD11 ' A' ' 44' ' ' ILE . 24.6 t -130.63 105.28 15.7 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.239 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 143.82 29.46 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.437 1.756 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.81 133.12 47.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.54 -7.37 32.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.0 mtt -115.04 164.72 13.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 110.951 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.18 167.74 20.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 110.297 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.77 ' CG1' HG22 ' A' ' 99' ' ' VAL . 3.2 mp -118.77 147.85 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -125.36 128.89 48.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.619 1.199 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.516 HG22 ' CD2' ' A' ' 139' ' ' TYR . 26.1 mt -122.72 123.98 69.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.465 ' HE1' HD13 ' A' ' 98' ' ' ILE . 1.5 p90 -156.96 161.92 39.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.79 140.77 52.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.484 ' HE1' ' HB3' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -146.4 165.9 27.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.956 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -36.84 -72.29 0.16 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.564 1.165 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.64 -179.31 6.37 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.462 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 2.6 p90 -145.8 -44.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.824 ' HB3' HD23 ' A' ' 190' ' ' LEU . 17.0 m0 -67.58 -43.29 80.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 108.02 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.72 -37.7 25.83 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.882 ' HA ' HD23 ' A' ' 58' ' ' LEU . 39.2 t -52.36 -57.12 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.445 0.733 . . . . 0.0 109.281 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 14.7 pt-20 -63.44 -41.37 98.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.679 ' HE ' HD12 ' A' ' 190' ' ' LEU . 2.0 tmm_? -61.42 -34.69 75.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.882 HD23 ' HA ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -75.36 -20.23 59.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.772 ' HD1' HG21 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -78.76 -59.71 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.828 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -56.21 -51.43 68.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 108.022 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.583 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 1.6 mm-40 -48.57 -22.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 0.3 OUTLIER -76.63 137.75 66.9 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.5 Cg_endo -74.93 111.68 3.38 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.578 1.831 . . . . 0.0 111.043 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.15 -10.43 5.36 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.14 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.772 HG21 ' HD1' ' A' ' 59' ' ' PHE . 74.6 t -95.26 134.92 30.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 0.748 . . . . 0.0 109.363 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.456 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.5 OUTLIER -85.22 -57.38 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 111.044 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.0 m -150.94 166.89 29.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.914 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.485 ' H ' ' CD2' ' A' ' 28' ' ' HIS . 30.7 p -140.32 136.69 33.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.431 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.499 ' HB3' ' CG ' ' A' ' 97' ' ' ARG . . . -121.96 144.01 49.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.704 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -111.1 139.97 46.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.705 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -172.13 -155.94 11.71 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.577 1.173 . . . . 0.0 111.011 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.489 ' CD1' ' HG2' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -147.07 168.02 22.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 110.968 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.9 t -173.17 168.63 4.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.457 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.63 -19.62 51.65 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.542 1.151 . . . . 0.0 111.038 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.57 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -76.18 -171.79 32.86 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -115.13 -28.96 6.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.7 m -74.64 120.81 83.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 143.76 29.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.541 1.811 . . . . 0.0 110.959 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.435 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 34.2 m120 47.52 63.39 10.28 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.568 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.03 170.21 20.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.529 1.805 . . . . 0.0 111.005 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.835 ' O ' HG23 ' A' ' 85' ' ' VAL . 56.9 m -117.2 163.0 16.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.632 ' CE1' ' CE1' ' A' ' 186' ' ' HIS . 36.8 t80 -61.96 -46.86 87.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.996 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -35.57 79.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -69.26 -45.23 70.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 81' ' ' THR . 72.6 t -57.99 -43.04 84.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.95 -32.2 65.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.21 -39.95 73.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.149 . . . . 0.0 109.938 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.43 6.86 70.2 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.24 -0.61 46.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.1 p -89.1 -23.65 22.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.35 11.0 58.57 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.57 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 48.4 m-70 -85.81 147.5 26.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.642 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -116.2 153.16 32.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -69.95 111.44 5.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 71' ' ' GLY . . . -131.88 156.68 45.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.704 HG12 ' HA ' ' A' ' 70' ' ' ALA . 34.8 m -143.92 140.13 25.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.499 ' CG ' ' HB3' ' A' ' 69' ' ' ALA . 10.4 ptm180 -109.55 124.65 51.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.323 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.668 HG21 ' CD1' ' A' ' 59' ' ' PHE . 3.3 mp -116.28 134.44 59.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.363 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.77 HG22 ' CG1' ' A' ' 44' ' ' ILE . 61.3 t -108.59 106.13 20.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.458 ' HE2' ' HB2' ' A' ' 45' ' ' ALA . 42.5 p90 -121.83 178.79 4.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.84 125.94 31.95 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.5 Cg_endo -74.94 -3.72 14.34 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.12 -21.51 17.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.0 t -104.59 -33.24 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.771 HD13 ' N ' ' A' ' 106' ' ' SER . 0.2 OUTLIER -145.5 131.91 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.157 . . . . 0.0 109.272 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.771 ' N ' HD13 ' A' ' 105' ' ' ILE . 9.9 p -92.21 161.37 14.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.045 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.625 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 2.3 p90 -68.8 -32.99 73.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.961 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.625 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -57.0 -47.62 80.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.516 ' HB2' HD11 ' A' ' 105' ' ' ILE . 51.5 mt-30 -59.84 -32.55 70.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.6 mt -73.98 -31.55 63.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.69 -49.86 74.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.487 ' HG3' ' N ' ' A' ' 113' ' ' VAL . 0.1 OUTLIER -64.01 -34.2 77.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.487 ' N ' ' HG3' ' A' ' 112' ' ' GLN . 2.2 t -61.44 -52.4 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 118' ' ' HIS . 16.1 m-30 -55.61 -48.73 74.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.522 ' HB3' ' CE1' ' A' ' 156' ' ' PHE . 63.5 m95 -64.26 -15.49 60.23 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.14 -32.5 17.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.484 ' HB3' ' HE1' ' A' ' 49' ' ' MET . 27.1 t-20 -98.76 0.05 43.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -77.74 164.43 25.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.614 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.527 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 0.2 OUTLIER -113.44 152.53 45.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 160.77 39.58 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.531 1.806 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.928 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.604 ' HG2' HG12 ' A' ' 85' ' ' VAL . 2.8 mp0 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -128.96 126.24 39.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -145.42 108.86 4.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.616 1.197 . . . . 0.0 110.302 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.65 98.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.032 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -135.91 164.42 28.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.372 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.787 HG22 ' HD3' ' A' ' 140' ' ' PRO . 81.3 mt -124.01 135.09 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.516 ' CD2' HG22 ' A' ' 46' ' ' ILE . 33.5 m-85 -130.42 77.38 76.12 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.983 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.2 Cg_endo -74.91 168.14 25.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.557 1.819 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 141' ' ' LEU . 4.0 mm? -101.18 -46.1 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 4.9 p -87.96 161.26 44.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -35.33 3.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.41 -36.32 71.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.517 ' HG2' ' CG ' ' A' ' 107' ' ' TYR . 34.3 mt-30 -73.84 -39.7 63.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.59 -42.91 77.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.407 1.067 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -68.22 -34.8 76.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.478 ' O ' ' HB3' ' A' ' 151' ' ' ALA . . . -75.62 -41.25 54.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.393 1.058 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.8 -59.2 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.259 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.493 ' HG3' ' N ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -55.86 -27.09 50.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.493 ' N ' ' HG3' ' A' ' 150' ' ' ARG . . . -70.59 -45.54 65.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 79.8 p -69.44 -43.3 73.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.037 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 153' ' ' LEU . 3.9 tt -59.12 -51.07 71.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -60.06 -20.87 60.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.95 -58.61 2.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.226 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 115' ' ' TRP . 4.5 t80 -53.19 -38.09 62.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 157' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 160' ' ' MET . 5.3 tt0 -64.11 -48.42 76.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.286 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.6 -30.27 65.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.315 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.27 -48.25 78.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.59 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 6.9 ptm -67.16 -31.03 71.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.937 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.59 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -65.75 -35.79 81.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.03 -18.03 63.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 160' ' ' MET . . . -77.56 -4.1 44.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.1 t70 79.38 32.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -109.14 123.98 50.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 168' ' ' HIS . 0.3 OUTLIER -77.32 -38.54 50.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.16 82.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 166' ' ' ASP . 9.5 p80 -73.41 147.68 44.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.568 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.29 127.06 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 170' ' ' THR . . . . . 0.572 ' O ' HG22 ' A' ' 170' ' ' THR . 20.8 m -91.06 49.67 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.454 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 95.0 m -85.71 132.17 34.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.357 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -122.07 140.92 51.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.238 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 13.5 mt -114.17 122.33 68.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -129.7 166.51 19.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -53.38 165.1 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 176' ' ' ALA . . . . . 0.983 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -81.46 84.9 6.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 177' ' ' THR . . . . . 0.435 ' H ' HG23 ' A' ' 177' ' ' THR . 18.4 p -65.32 164.82 21.02 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 115.89 4.42 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.539 1.81 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.566 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -77.88 143.18 37.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -119.38 107.56 13.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 110.954 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.821 ' HB3' HG21 ' A' ' 24' ' ' VAL . 28.9 m-85 -38.14 157.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.705 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -118.6 174.9 5.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 183' ' ' GLU . . . . . 0.551 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 1.4 tp10 -37.76 130.93 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -52.94 -23.28 6.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.85 -43.64 83.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 186' ' ' HIS . . . . . 0.632 ' CE1' ' CE1' ' A' ' 82' ' ' TYR . 89.3 m-70 -62.52 -33.51 75.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.633 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -52.74 110.59 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 110.302 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.663 ' OE1' ' HB3' ' A' ' 29' ' ' ALA . 3.4 mp0 50.24 58.91 4.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.747 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 7.0 t80 -85.45 -25.66 26.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.824 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -76.43 -46.79 25.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.32 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -31.66 65.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.589 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -65.98 -35.67 81.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -140.08 105.33 6.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.555 1.818 . . . . 0.0 111.003 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -70.61 142.65 89.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 140.13 24.94 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.667 HG21 ' CB ' ' A' ' 181' ' ' TYR . 85.8 t -134.74 140.5 45.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.81 164.69 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.511 HG22 HD13 ' A' ' 27' ' ' LEU . 7.3 m -91.94 -44.52 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.437 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.597 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -110.6 137.76 47.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.582 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 17.6 t-80 -52.67 156.53 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.584 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.513 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -86.1 -24.57 26.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.061 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 1.052 HG11 ' CD2' ' A' ' 60' ' ' TRP . 41.4 t -95.27 -69.27 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.1 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 0.5 OUTLIER -56.2 -39.89 73.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 78.06 18.49 76.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.433 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -118.79 171.33 8.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.559 0.799 . . . . 0.0 109.613 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.434 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -38.73 149.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.968 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' THR . 27.1 mmm -98.58 -64.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.2 t -77.84 -32.67 52.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.409 1.068 . . . . 0.0 110.431 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.434 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.3 OUTLIER -61.85 128.99 38.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 1.108 HG21 HD11 ' A' ' 44' ' ' ILE . 72.0 t -127.54 113.58 21.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 109.327 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 139.78 24.85 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.557 1.819 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -43.66 128.39 5.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.33 -10.62 31.05 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.493 1.12 . . . . 0.0 110.952 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.581 ' HB3' HG13 ' A' ' 38' ' ' VAL . 31.7 tpp -104.72 147.35 27.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.762 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -128.49 158.98 36.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 1.108 HD11 HG21 ' A' ' 38' ' ' VAL . 3.4 mt -114.63 157.52 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.606 ' HB3' HG22 ' A' ' 98' ' ' ILE . . . -150.61 135.21 17.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.579 HD12 ' HB1' ' A' ' 176' ' ' ALA . 37.8 mt -103.99 131.65 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.55 ' HE1' ' HB1' ' A' ' 45' ' ' ALA . 30.2 m-85 -143.72 149.53 37.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -132.64 120.25 21.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.596 ' SD ' ' CZ ' ' A' ' 114' ' ' PHE . 0.2 OUTLIER -129.61 -172.25 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -63.34 -70.85 0.95 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.517 1.135 . . . . 0.0 110.983 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.5 m -63.71 178.22 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.484 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -129.04 -63.65 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.591 ' CE3' ' CD1' ' A' ' 189' ' ' TYR . 2.0 m0 -73.87 -36.86 64.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 108.021 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.1 -45.57 91.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.839 ' HA ' HD23 ' A' ' 58' ' ' LEU . 89.7 t -54.2 -62.48 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.773 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.79 -35.14 77.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 110.247 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.516 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 2.3 ttt-85 -65.69 -30.91 71.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.839 HD23 ' HA ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -76.99 -20.47 56.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.828 ' CZ ' HG23 ' A' ' 98' ' ' ILE . 14.8 t80 -83.93 -58.3 2.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 1.052 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -53.9 -51.46 63.64 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.535 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 3.3 mm-40 -53.55 -18.41 2.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.454 HD23 ' N ' ' A' ' 63' ' ' PRO . 7.3 tt -84.61 137.11 38.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.454 ' N ' HD23 ' A' ' 62' ' ' LEU . 18.3 Cg_endo -74.97 107.91 2.59 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.434 1.755 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.426 ' HA3' ' HB ' ' A' ' 105' ' ' ILE . . . 141.03 -12.04 2.84 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.601 1.188 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.679 HG22 ' CE2' ' A' ' 59' ' ' PHE . 77.2 t -87.38 135.21 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.555 ' CD1' ' HE1' ' A' ' 42' ' ' MET . 3.1 t80 -89.31 -46.13 8.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 1.082 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.3 p -159.66 168.02 27.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.063 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.479 ' H ' ' CD2' ' A' ' 28' ' ' HIS . 10.6 p -149.0 140.45 23.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.396 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.7 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . . . -137.27 159.97 40.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.611 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -123.09 139.62 53.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -162.7 -165.79 20.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.411 ' O ' ' HB ' ' A' ' 73' ' ' THR . 16.6 m-85 -130.73 159.41 37.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.426 HG22 ' CB ' ' A' ' 95' ' ' ALA . 7.7 t -175.75 165.62 3.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.387 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.31 -17.55 56.73 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.535 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -88.65 -174.38 47.08 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -113.61 -21.45 10.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 110.972 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.443 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 1.4 m -75.3 117.7 65.14 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 110.354 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 147.53 33.8 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.526 1.803 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.43 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 81.6 m-20 45.56 63.95 8.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.2 Cg_endo -74.98 164.16 33.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.0 m -113.29 153.33 28.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.422 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -53.86 -43.87 69.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.11 -42.64 75.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.37 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -65.58 -44.23 87.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.264 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.7 t -59.09 -38.0 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.339 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.3 p -70.89 -32.08 68.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.069 . . . . 0.0 110.05 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 73.5 m -62.19 -37.67 86.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.99 12.72 61.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.591 1.182 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.52 9.16 35.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.3 p -113.17 -25.15 9.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.428 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.26 22.39 72.73 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.562 1.164 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.535 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 23.6 m-70 -91.17 156.38 17.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 0.761 . . . . 0.0 109.613 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -115.6 153.54 31.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.409 ' OE1' ' O ' ' A' ' 49' ' ' MET . 0.0 OUTLIER -77.6 109.95 12.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.426 ' CB ' HG22 ' A' ' 73' ' ' THR . . . -123.32 163.22 21.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.611 HG12 ' HA ' ' A' ' 70' ' ' ALA . 19.2 m -140.67 160.4 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.071 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.7 ' HB3' ' HB3' ' A' ' 69' ' ' ALA . 24.8 ttp180 -99.63 127.77 45.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.828 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 0.8 OUTLIER -115.65 117.87 56.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.367 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 66' ' ' TYR . 15.4 t -119.97 106.15 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.492 ' CD2' HD11 ' A' ' 110' ' ' LEU . 47.4 p90 -133.68 173.96 10.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.474 ' C ' ' H ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -117.23 130.07 24.89 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.0 Cg_endo -75.03 18.43 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.474 ' H ' ' C ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -103.96 -29.19 11.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.997 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 68.8 t -109.56 -30.17 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.256 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.521 HD13 ' H ' ' A' ' 106' ' ' SER . 0.1 OUTLIER -145.65 130.84 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.521 ' H ' HD13 ' A' ' 105' ' ' ILE . 1.4 p -86.68 164.32 16.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.616 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 36.0 p90 -71.36 -45.47 62.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.616 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 3.4 pt-20 -52.57 -29.36 25.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.07 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.496 ' HB2' ' CD1' ' A' ' 105' ' ' ILE . 40.8 mt-30 -71.46 -42.08 68.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.492 HD11 ' CD2' ' A' ' 100' ' ' TYR . 38.2 mt -52.59 -52.89 53.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.242 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 108' ' ' GLU . 2.6 mt -52.82 -42.14 64.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.75 -49.47 65.42 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.564 ' CG1' HD11 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -69.85 -48.39 64.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.596 ' CZ ' ' SD ' ' A' ' 49' ' ' MET . 3.5 t80 -53.94 -48.96 69.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.507 ' HH2' HG21 ' A' ' 171' ' ' THR . 42.6 m95 -64.68 -21.83 66.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.044 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -83.91 -35.99 23.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -92.85 2.03 56.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.58 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -75.53 168.19 20.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.615 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.58 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 19.2 m-20 -109.91 151.23 42.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 158.71 42.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 167' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 134' ' ' TYR . . . . . 0.489 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 35.2 p90 -121.01 127.78 52.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -141.58 150.17 41.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.212 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.43 92.32 7.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.041 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -127.37 159.25 35.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 14.0 mt -120.57 135.26 61.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.371 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -129.9 77.79 76.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 161.9 37.84 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.49 1.784 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.671 HD12 ' HB3' ' A' ' 176' ' ' ALA . 10.9 tp -109.51 -54.94 2.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.1 p -69.97 161.26 76.45 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.122 . . . . 0.0 110.411 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -41.0 0.73 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.511 1.795 . . . . 0.0 111.054 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -61.77 -34.06 75.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.365 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -70.77 -41.82 71.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -40.84 97.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.518 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -69.25 -38.72 78.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.43 -45.81 65.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.48 -56.54 19.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.21 -31.36 72.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -64.28 -39.08 93.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 22.1 p -73.94 -36.59 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.02 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' LEU . . . . . 0.894 HD11 HG23 ' A' ' 171' ' ' THR . 4.6 tt -59.45 -52.4 65.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -57.67 -32.8 67.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -35.8 46.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.441 ' CE2' ' CE3' ' A' ' 115' ' ' TRP . 22.5 t80 -70.4 -52.22 23.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -63.24 -35.71 81.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.0 -43.75 82.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.51 -44.75 86.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.586 1.179 . . . . 0.0 109.353 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' MET . . . . . 0.428 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 7.1 ttp -60.16 -47.83 84.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.497 HD22 ' O ' ' A' ' 165' ' ' ASP . 0.1 OUTLIER -64.08 -34.97 79.25 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.77 -18.86 63.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.592 1.183 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -83.53 -6.54 59.48 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.401 1.063 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 164' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 1.1 t70 81.97 30.4 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 165' ' ' ASP . . . . . 0.497 ' O ' HD22 ' A' ' 161' ' ' LEU . 57.7 m-20 -103.06 122.69 45.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.36 12.67 15.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.414 1.072 . . . . 0.0 109.365 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 167' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 0.7 OUTLIER -87.07 72.7 9.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 0.0 110.345 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.82 134.26 54.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.562 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.2 mp -75.08 139.37 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 78.9 m -97.59 35.57 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.395 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 171' ' ' THR . . . . . 0.894 HG23 HD11 ' A' ' 153' ' ' LEU . 2.6 t -78.39 132.71 37.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.448 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -118.86 140.5 49.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.286 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 76.4 mt -108.74 122.67 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -134.99 167.11 21.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 175' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 177' ' ' THR . 9.0 p-10 -60.61 150.6 31.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 176' ' ' ALA . . . . . 0.671 ' HB3' HD12 ' A' ' 141' ' ' LEU . . . -65.72 75.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 177' ' ' THR . . . . . 0.531 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -61.74 160.29 28.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 108.5 2.73 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 1.3 p90 -93.99 144.68 25.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 180' ' ' TYR . . . . . 0.407 ' O ' ' O ' ' A' ' 181' ' ' TYR . 20.2 m-85 -93.3 119.23 32.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.45 1.094 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 181' ' ' TYR . . . . . 0.667 ' CB ' HG21 ' A' ' 24' ' ' VAL . 77.8 m-85 -46.68 174.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.972 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 182' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -126.78 170.33 12.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 183' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 182' ' ' ALA . 1.9 mm-40 -38.1 132.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -52.86 -22.86 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.92 -45.01 87.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -60.8 -46.18 91.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.525 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 0.54 ' OE1' ' HB3' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -52.6 115.43 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 188' ' ' GLN . . . . . 0.582 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 4.9 mp0 53.37 54.65 9.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 189' ' ' TYR . . . . . 0.591 ' CD1' ' CE3' ' A' ' 53' ' ' TRP . 29.3 t80 -85.48 -28.27 25.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.418 ' HB3' ' CD ' ' A' ' 57' ' ' ARG . 0.6 OUTLIER -76.85 -46.47 24.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.249 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 191' ' ' HIS . . . . . 0.4 ' CD2' ' HB3' ' A' ' 188' ' ' GLN . 0.0 OUTLIER -56.4 -28.68 60.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.113 . . . . 0.0 109.519 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -40.55 96.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -140.39 119.97 8.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.236 0 O-C-N 124.414 1.744 . . . . 0.0 111.012 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.771 ' C ' HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -63.09 143.25 57.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.481 ' N ' HD22 ' A' ' 2' ' ' LEU . 0.7 OUTLIER -135.01 155.87 50.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -61.68 91.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -118.93 148.33 43.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.14 56.49 3.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -119.79 -49.72 2.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.562 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.005 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -68.83 157.51 36.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.618 ' O ' HD22 ' A' ' 8' ' ' LEU . 6.6 p -49.04 143.63 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.84 165.98 48.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -21.76 15.44 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.51 1.795 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.1 -23.77 51.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.445 ' HB3' ' CG2' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -92.7 -36.5 12.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.13 81.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.22 160.17 27.81 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 100.18 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.83 -70.19 1.04 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.445 1.091 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.2 mtt-85 -128.91 144.21 51.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 0.793 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 76.0 m-80 -100.04 25.7 7.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.1 p -117.79 111.17 39.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 142.08 27.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.66 146.33 93.51 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 134.66 18.05 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.52 1.8 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.81 HG21 ' HB3' ' A' ' 181' ' ' TYR . 13.2 t -131.69 132.78 62.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 156.7 6.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 35' ' ' MET . 55.3 m -81.52 -45.2 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 34' ' ' SER . 0.4 OUTLIER -98.67 138.95 35.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.553 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 22.7 t-80 -55.13 157.51 3.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.588 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.814 ' HB3' ' CD ' ' A' ' 188' ' ' GLN . . . -84.0 -27.36 28.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.963 HG11 ' CD2' ' A' ' 60' ' ' TRP . 54.9 t -95.55 -67.58 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -54.75 -38.99 67.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.9 15.28 81.78 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.85 171.0 8.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 109.574 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.423 ' N ' HD12 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -39.25 140.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.458 ' O ' ' NH2' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -93.51 -51.55 4.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 110.961 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -85.1 -46.31 11.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.395 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.89 126.45 24.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 1.081 HG21 HD11 ' A' ' 44' ' ' ILE . 6.4 t -118.96 117.23 33.8 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 146.26 32.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.57 131.62 43.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.36 1.3 37.97 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.443 ' HB2' HG13 ' A' ' 38' ' ' VAL . 79.2 mmm -114.68 160.66 19.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 0.735 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.6 157.46 46.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 1.081 HD11 HG21 ' A' ' 38' ' ' VAL . 2.3 mp -113.41 156.99 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -154.63 130.87 10.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.7 mt -104.61 138.88 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.493 ' CE2' HG23 ' A' ' 138' ' ' ILE . 34.7 m-85 -153.65 144.17 22.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -125.06 127.64 47.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.42 179.76 5.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.75 -79.99 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.87 178.34 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER -136.38 -49.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.631 ' CZ3' ' CE1' ' A' ' 189' ' ' TYR . 25.0 m0 -72.78 -37.06 67.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 107.999 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.484 ' O ' ' CB ' ' A' ' 58' ' ' LEU . . . -79.19 -28.65 52.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.3 t -73.49 -50.8 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 11.3 pt-20 -55.69 -52.15 64.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -68.76 -23.84 64.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.484 ' CB ' ' O ' ' A' ' 54' ' ' GLY . 2.6 tp -66.39 -28.33 68.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.541 ' CG ' HG12 ' A' ' 98' ' ' ILE . 23.6 m-85 -78.45 -52.26 8.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.963 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -61.88 -55.92 24.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 108.0 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.518 ' N ' ' CG ' ' A' ' 60' ' ' TRP . 2.2 mt-30 -47.99 -23.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.707 HD11 HG21 ' A' ' 113' ' ' VAL . 6.5 tt -77.54 135.81 64.5 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.422 ' N ' HD23 ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.06 106.29 2.25 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.515 1.797 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.435 ' HA2' ' CG1' ' A' ' 104' ' ' VAL . . . 142.02 -17.84 2.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.421 HG11 ' CG2' ' A' ' 68' ' ' THR . 17.0 t -92.52 130.81 41.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 0.777 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 99' ' ' VAL . 1.6 t80 -80.66 -56.86 3.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.9 m -150.41 163.59 37.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.435 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 36.1 p -148.8 167.0 26.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.399 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.11 153.44 32.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.894 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -106.8 140.2 40.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.442 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -167.94 -168.02 29.44 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -132.77 164.82 25.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 0.804 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.52 HG22 ' HB3' ' A' ' 95' ' ' ALA . 1.3 t -170.2 171.17 6.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.457 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.406 ' N ' ' OG1' ' A' ' 73' ' ' THR . . . 94.51 -20.17 49.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.145 . . . . 0.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.5 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -82.39 -177.56 51.96 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -114.56 -22.29 9.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.4 m -74.77 125.37 89.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 154.7 42.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.776 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.404 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 20.7 m-80 45.43 64.82 7.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.5 Cg_endo -74.95 137.75 22.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.538 1.809 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.671 ' O ' HG23 ' A' ' 85' ' ' VAL . 2.3 m -111.68 155.04 24.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -63.35 -28.77 70.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.86 -52.0 28.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -73.8 -44.61 55.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 0.0 110.333 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 81' ' ' THR . 47.2 t -53.5 -37.94 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.361 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.2 t -59.89 -23.81 63.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.7 m -71.85 -39.59 69.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.418 ' HA2' ' NE2' ' A' ' 133' ' ' GLN . . . 92.22 8.89 62.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.29 12.07 14.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.4 p -111.27 -24.54 10.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.07 6.08 63.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.5 ' CG ' ' HA3' ' A' ' 75' ' ' GLY . 31.7 m-70 -73.17 158.25 35.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 109.575 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -127.81 162.08 27.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 15.3 pt-20 -71.59 135.08 46.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.52 ' HB3' HG22 ' A' ' 73' ' ' THR . . . -161.37 150.04 15.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.894 HG12 ' HA ' ' A' ' 70' ' ' ALA . 25.4 m -138.56 155.35 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.458 ' NH2' ' O ' ' A' ' 35' ' ' MET . 50.1 ttp180 -97.49 139.41 33.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.541 HG12 ' CG ' ' A' ' 59' ' ' PHE . 4.6 mp -126.28 119.1 53.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.719 HG22 ' CG1' ' A' ' 44' ' ' ILE . 59.0 t -113.03 99.48 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.751 ' CD1' HG23 ' A' ' 105' ' ' ILE . 39.3 p90 -124.52 177.09 6.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.24 137.86 20.71 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.05 -3.04 13.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.534 1.807 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t -92.92 -19.29 21.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.435 ' CG1' ' HA2' ' A' ' 64' ' ' GLY . 92.2 t -109.67 -46.83 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.751 HG23 ' CD1' ' A' ' 100' ' ' TYR . 1.8 tp -132.83 139.52 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.6 p -107.28 166.25 10.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -59.86 -33.1 71.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -67.93 -42.81 80.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -62.84 -43.55 98.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.534 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 27.0 mt -61.54 -40.89 96.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.2 mt -64.35 -42.81 96.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.62 -47.05 73.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.707 HG21 HD11 ' A' ' 62' ' ' LEU . 2.7 t -66.49 -46.55 86.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -51.98 -52.82 47.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 44.0 m95 -62.82 -23.72 67.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 107.997 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -32.76 59.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -101.65 4.26 40.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -78.47 163.49 25.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.567 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.64 159.57 28.89 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.26 41.59 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.607 ' HB1' ' O ' ' A' ' 168' ' ' HIS . . . -85.1 128.1 34.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.485 ' HB2' HD11 ' A' ' 203' ' ' ILE . 1.0 OUTLIER -116.63 -7.41 11.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 74.83 29.73 60.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.523 1.14 . . . . 0.0 111.025 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.9 ttt -41.32 121.64 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.62 170.15 10.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -80.9 150.52 29.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -176.28 -123.5 0.77 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.434 1.084 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -83.58 159.99 21.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 0.776 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.78 103.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.436 ' H ' HG23 ' A' ' 132' ' ' THR . 17.7 m-70 -143.43 94.11 2.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.568 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 61.82 31.0 76.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.436 HG23 ' H ' ' A' ' 130' ' ' HIS . 3.0 p -74.97 -32.62 61.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 110.376 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.418 ' NE2' ' HA2' ' A' ' 88' ' ' GLY . 2.3 tp60 -72.09 -27.39 62.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 110.342 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -109.97 125.38 52.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -150.01 173.05 14.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 77.5 p -100.23 110.42 22.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -133.65 160.33 37.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.493 HG23 ' CE2' ' A' ' 47' ' ' PHE . 5.7 mt -120.87 126.78 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -121.91 82.12 42.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.766 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.3 Cg_endo -75.0 167.49 26.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.641 HD22 ' C ' ' A' ' 140' ' ' PRO . 2.7 mm? -115.7 -46.91 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.44 HG23 ' OE1' ' A' ' 145' ' ' GLN . 4.1 p -91.82 161.78 32.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.426 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -35.13 3.31 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -55.42 -51.19 67.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.44 ' OE1' HG23 ' A' ' 142' ' ' THR . 9.9 pt20 -70.57 -36.3 73.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.64 -48.07 75.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -72.74 -36.69 67.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' A' ' 145' ' ' GLN . . . -61.65 -48.88 78.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.36 -50.25 72.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -37.09 85.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.08 -43.51 78.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 18.4 p -70.93 -40.35 72.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.026 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.748 HD23 ' C ' ' A' ' 153' ' ' LEU . 2.7 tt -60.74 -52.49 64.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -61.91 -38.12 87.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -52.66 47.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -62.72 -40.06 96.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.452 ' O ' ' CG ' ' A' ' 160' ' ' MET . 17.7 tt0 -62.93 -44.88 94.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.38 -32.12 68.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.11 -48.66 77.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.49 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 4.7 ptm -68.03 -32.69 73.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.49 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -65.85 -38.83 89.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.48 -19.06 65.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -90.4 -9.4 47.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.6 OUTLIER 81.74 34.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.46 118.11 35.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.05 11.61 13.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.22 71.17 3.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.607 ' O ' ' HB1' ' A' ' 121' ' ' ALA . 36.4 p-80 -52.22 148.13 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.613 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.614 HD11 HD21 ' A' ' 153' ' ' LEU . 0.1 OUTLIER -69.55 142.78 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 66.5 p -94.76 2.07 55.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.44 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.477 ' CG2' HD12 ' A' ' 153' ' ' LEU . 0.6 OUTLIER -72.93 133.56 44.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.387 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -118.97 128.05 54.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.258 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.419 HD12 HD13 ' A' ' 153' ' ' LEU . 16.4 mt -109.33 121.09 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.221 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -147.05 165.35 30.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -42.84 163.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -87.1 87.27 7.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 4.0 p -59.53 162.7 8.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.16 5.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.558 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -79.0 141.19 37.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 180' ' ' TYR . . . . . 0.4 ' O ' ' O ' ' A' ' 181' ' ' TYR . 19.8 m-85 -119.99 108.98 14.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.81 ' HB3' HG21 ' A' ' 24' ' ' VAL . 26.5 m-85 -36.89 155.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.442 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -118.32 174.79 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.571 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 0.4 OUTLIER -38.35 130.44 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 110.329 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.1 -23.11 2.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.45 -33.42 60.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 186' ' ' HIS . . . . . 0.571 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 63.1 m-70 -69.51 -46.04 67.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 0.612 ' O ' ' HG2' ' A' ' 188' ' ' GLN . 36.7 mm-40 -44.94 122.75 3.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.814 ' CD ' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER 36.18 60.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.421 1.076 . . . . 0.0 110.309 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.631 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 10.8 t80 -84.41 -25.59 28.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -46.2 67.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -29.08 65.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.563 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -66.38 -37.36 85.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.23 107.14 7.29 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -12.05 21.58 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.504 1.792 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -96.59 3.5 52.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -102.91 61.04 0.49 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 111.044 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -75.45 144.93 41.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.785 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 17.0 p -101.23 -52.15 3.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.295 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 125.45 139.76 5.25 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 3.5 mm -101.23 -60.97 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.43 0.724 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -79.84 97.97 1.66 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.0 68.17 0.29 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.485 HD11 ' HB2' ' A' ' 122' ' ' GLN . 1.8 tt -83.99 155.37 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.754 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -70.57 -175.34 18.35 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 29.4 t -92.22 -12.93 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 206' ' ' SER . . . . . 0.403 ' O ' ' CD ' ' A' ' 122' ' ' GLN . 1.4 m -45.07 128.63 7.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.029 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 6.4 mt -97.33 152.47 38.26 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 122.48 7.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -170.37 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -58.44 3.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.256 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.1 p . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.33 123.62 27.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 3' ' ' PHE . 53.9 p90 -77.36 123.19 26.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 111.049 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -125.57 126.02 44.12 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.33 64.61 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 mtpt -100.46 123.62 44.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 -148.02 87.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.586 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -150.63 161.45 42.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.4 HG12 ' HA3' ' A' ' 91' ' ' GLY . 4.2 p -51.09 152.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.1 p -76.1 157.55 83.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.968 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -16.54 20.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.1 -28.86 63.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.17 -35.85 12.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.56 79.28 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.05 159.85 28.73 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 106.59 2.3 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.465 1.771 . . . . 0.0 111.05 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.55 -33.23 31.75 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.398 1.061 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.18 138.83 53.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -96.29 -40.88 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 109.216 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.67 HG23 ' HD2' ' A' ' 21' ' ' PRO . 8.4 m -94.06 145.5 29.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.36 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.67 ' HD2' HG23 ' A' ' 20' ' ' THR . 18.1 Cg_endo -75.01 153.3 41.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.33 148.77 88.66 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 111.057 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 132.05 14.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.779 . . . . 0.0 111.005 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.812 HG21 ' HB3' ' A' ' 181' ' ' TYR . 5.4 t -129.48 131.55 67.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.14 160.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.738 HG22 HD13 ' A' ' 27' ' ' LEU . 1.8 m -89.4 -42.99 11.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.397 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.738 HD13 HG22 ' A' ' 26' ' ' THR . 0.2 OUTLIER -106.77 139.87 40.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.592 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 17.1 t-80 -50.04 150.57 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.637 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.423 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -80.08 -30.08 39.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 1.085 HG11 ' CE2' ' A' ' 60' ' ' TRP . 70.4 t -91.68 -66.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -54.13 -39.88 66.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.28 16.3 76.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.396 1.06 . . . . 0.0 111.005 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.505 ' CG ' ' N ' ' A' ' 34' ' ' SER . 9.8 t60 -131.12 164.12 26.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 109.617 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.505 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 78.0 p -47.2 132.1 12.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.058 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.6 ptm -98.6 -23.15 15.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 111.054 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 38' ' ' VAL . 42.4 p -78.25 -51.82 9.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 110.443 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -54.53 127.01 25.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.975 HG21 HD11 ' A' ' 44' ' ' ILE . 40.4 t -118.54 105.07 46.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 142.92 28.68 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.99 130.07 15.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.362 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.21 -15.86 30.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.543 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 0.7 OUTLIER -104.26 141.1 36.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.596 0.821 . . . . 0.0 111.003 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.69 162.4 22.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.975 HD11 HG21 ' A' ' 38' ' ' VAL . 2.7 mp -113.56 150.28 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -150.8 131.78 14.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.575 HG22 ' CD2' ' A' ' 139' ' ' TYR . 31.0 mt -102.41 138.74 25.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -149.99 148.01 28.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.512 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -128.45 130.05 47.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.766 ' HB3' HG21 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -132.53 171.16 14.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.937 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.81 -54.24 11.97 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.677 ' HB3' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -87.63 179.57 6.5 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.2 p90 -141.11 -44.91 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.98 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.693 ' HB3' HD23 ' A' ' 190' ' ' LEU . 16.5 m0 -70.74 -45.21 65.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 108.042 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 58' ' ' LEU . . . -77.52 -34.31 40.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.766 HG21 ' HB3' ' A' ' 49' ' ' MET . 69.1 t -71.7 -39.77 69.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.581 ' OE1' ' HB2' ' A' ' 70' ' ' ALA . 1.8 tt0 -64.86 -55.08 21.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.507 ' HD3' HD12 ' A' ' 190' ' ' LEU . 0.0 OUTLIER -65.53 -24.99 67.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.658 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -67.79 -38.22 83.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.524 ' CG ' HG12 ' A' ' 98' ' ' ILE . 10.5 m-85 -63.44 -50.18 70.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 1.085 ' CE2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -67.8 -54.99 14.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 108.033 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.52 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 2.8 mm-40 -48.24 -22.67 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.862 HD13 ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -72.61 140.6 81.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.862 ' HD2' HD13 ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.03 113.61 3.83 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.45 1.763 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.92 -23.95 4.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.5 t -87.95 129.53 39.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.543 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 0.2 OUTLIER -81.78 -57.44 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.554 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 3.4 m -153.37 166.8 31.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 97' ' ' ARG . 61.8 p -137.93 171.0 15.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.436 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.474 ' HB1' ' CE1' ' A' ' 181' ' ' TYR . . . -146.59 121.57 10.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.456 1.097 . . . . 0.0 109.362 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.846 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -82.94 138.09 33.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -164.41 -166.67 23.72 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.572 ' N ' ' CD1' ' A' ' 72' ' ' TYR . 0.2 OUTLIER -131.94 163.39 28.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 0.802 . . . . 0.0 111.019 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.417 ' OG1' ' CG2' ' A' ' 177' ' ' THR . 13.9 t -171.06 162.69 7.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.43 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.12 -18.85 55.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.513 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -85.91 -178.5 50.08 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -114.54 -24.49 8.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 110.96 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.94 124.98 89.83 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.421 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 155.02 42.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.767 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.4 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 1.0 OUTLIER 41.46 65.21 4.75 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.46 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.03 156.31 42.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.543 1.812 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.9 m -113.36 155.37 25.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.388 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -56.33 -48.86 75.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -66.86 -35.62 80.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 110.343 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -67.41 -42.75 82.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.371 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.5 t -62.98 -38.95 83.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.4 m -60.77 -22.46 64.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.942 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.99 -39.58 69.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.043 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.73 11.29 65.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -88.99 -4.52 58.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 0.743 . . . . 0.0 109.279 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 p -102.78 -21.8 14.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.398 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.4 ' HA3' HG12 ' A' ' 9' ' ' VAL . . . 65.53 10.94 51.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.513 ' CG ' ' HA3' ' A' ' 75' ' ' GLY . 31.3 m-70 -72.81 152.21 41.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 109.583 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -119.19 170.25 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.512 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 18.1 mm-40 -82.39 126.1 31.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -152.56 149.96 29.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.846 HG12 ' HA ' ' A' ' 70' ' ' ALA . 32.3 m -140.32 163.08 23.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.528 ' CG ' HG23 ' A' ' 44' ' ' ILE . 47.4 ttp180 -101.26 142.94 31.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.176 . . . . 0.0 110.243 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.524 HG12 ' CG ' ' A' ' 59' ' ' PHE . 4.8 mp -126.58 116.57 45.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.412 HG22 ' CG1' ' A' ' 44' ' ' ILE . 35.8 t -109.13 99.82 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.501 ' HD2' HG22 ' A' ' 98' ' ' ILE . 30.4 p90 -129.95 176.78 7.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.593 1.183 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.36 132.85 21.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -74.94 1.55 7.58 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.407 1.74 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.85 -28.98 16.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.6 t -97.44 -50.4 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.487 HG23 ' CD1' ' A' ' 100' ' ' TYR . 16.6 tt -115.37 161.31 14.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.4 p -124.74 147.43 48.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.065 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 26.0 p90 -49.76 -35.63 23.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.594 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 4.4 tp10 -61.7 -43.34 99.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -62.9 -47.74 81.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.407 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 41.3 mt -56.2 -47.62 78.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.386 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 108' ' ' GLU . 5.0 mt -60.43 -43.01 97.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -58.52 -53.8 54.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.732 HG21 HD11 ' A' ' 62' ' ' LEU . 3.8 t -59.05 -51.58 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.539 ' CE2' ' HG3' ' A' ' 49' ' ' MET . 5.9 t80 -55.17 -48.7 73.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.434 1.084 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.449 ' CE3' ' CE2' ' A' ' 156' ' ' PHE . 21.4 m95 -63.61 -20.82 65.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 108.043 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -83.82 -36.77 23.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -90.55 -0.44 57.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.54 169.26 15.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.655 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -112.22 155.1 44.05 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 160.03 40.74 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.583 1.833 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' ' 167' ' ' ARG . . . -84.94 131.67 34.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -130.68 48.08 2.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 74.03 29.99 61.89 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.72 98.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -122.22 167.01 13.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.349 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -92.91 126.72 38.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -169.1 -78.91 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.56 1.162 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.28 155.2 26.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 0.772 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.64 85.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -120.18 -40.16 2.73 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.437 1.085 . . . . 0.0 109.599 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -147.87 30.03 1.39 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.431 1.082 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 69.2 p -82.4 -34.94 28.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.781 . . . . 0.0 110.391 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -44.42 -49.19 9.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -113.35 138.63 49.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -141.07 123.64 15.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 31.3 p -69.74 87.98 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -121.44 151.58 40.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.363 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.477 HG22 ' HD3' ' A' ' 140' ' ' PRO . 79.9 mt -115.87 131.67 67.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.575 ' CD2' HG22 ' A' ' 46' ' ' ILE . 76.9 m-85 -124.21 83.19 56.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.493 ' C ' HD22 ' A' ' 141' ' ' LEU . 18.5 Cg_endo -74.96 169.98 21.42 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.784 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.493 HD22 ' C ' ' A' ' 140' ' ' PRO . 4.2 mm? -115.66 -48.23 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 2.0 p -93.36 164.2 22.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.347 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.409 ' HA ' ' HB2' ' A' ' 146' ' ' ASP . 18.4 Cg_endo -75.03 -34.55 3.71 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 0.0 111.034 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.14 -52.25 63.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.423 ' OE1' ' HA ' ' A' ' 140' ' ' PRO . 6.4 pt20 -71.93 -34.65 69.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.25 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.409 ' HB2' ' HA ' ' A' ' 143' ' ' PRO . 0.5 OUTLIER -55.53 -54.25 46.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.77 -46.5 84.96 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -55.89 -41.19 74.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.92 -53.0 63.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -66.89 -39.87 87.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.287 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.8 -35.12 65.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 156' ' ' PHE . 56.1 p -78.22 -42.9 29.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.682 HD23 ' C ' ' A' ' 153' ' ' LEU . 4.5 tt -58.71 -53.18 61.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -57.06 -30.0 63.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.087 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.79 -31.75 28.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.449 ' CE2' ' CE3' ' A' ' 115' ' ' TRP . 1.4 t80 -69.14 -54.51 14.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' A' ' 160' ' ' MET . 1.0 OUTLIER -60.24 -31.81 70.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 157' ' ' GLN . . . -71.88 -36.42 70.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -57.95 -49.33 77.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.477 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 6.9 ptm -68.28 -33.02 73.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.477 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.0 OUTLIER -63.04 -42.55 99.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.07 -22.79 67.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -83.71 -10.98 57.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.1 t70 82.21 31.95 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.409 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.35 124.38 48.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.238 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -92.31 18.95 7.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' ARG . . . . . 0.46 ' HB3' ' HB3' ' A' ' 121' ' ' ALA . 37.1 mmt180 -84.33 74.43 10.34 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -69.42 123.35 21.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.652 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.541 ' H ' HD13 ' A' ' 169' ' ' ILE . 0.2 OUTLIER -73.67 139.83 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 65.7 m -88.36 56.61 3.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.43 ' CG2' HD12 ' A' ' 153' ' ' LEU . 20.5 m -93.62 124.97 37.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.387 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.07 127.27 50.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 7.0 mt -105.89 122.51 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -143.62 167.89 21.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -48.92 165.72 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.36 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.409 ' HB1' HD12 ' A' ' 46' ' ' ILE . . . -86.42 83.99 7.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 177' ' ' THR . . . . . 0.417 ' CG2' ' OG1' ' A' ' 73' ' ' THR . 0.5 OUTLIER -62.57 162.48 20.16 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.355 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 109.5 2.94 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.569 1.826 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 10.3 p90 -87.65 144.63 26.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -99.28 122.95 43.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.812 ' HB3' HG21 ' A' ' 24' ' ' VAL . 7.1 m-85 -44.75 170.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.419 ' O ' ' NE2' ' A' ' 187' ' ' GLN . . . -127.66 171.28 11.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.071 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -48.11 137.07 10.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 1.081 . . . . 0.0 110.313 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -56.65 -27.06 57.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.213 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.55 -44.35 94.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 186' ' ' HIS . . . . . 0.459 ' HD1' ' HZ2' ' A' ' 53' ' ' TRP . 73.0 m-70 -69.28 -37.99 78.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.564 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 182' ' ' ALA . 0.0 OUTLIER -53.15 114.36 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.592 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 7.6 mp0 51.93 54.03 11.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.585 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 10.1 t80 -85.14 -25.81 27.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.693 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -69.0 -46.38 68.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -29.53 66.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.571 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.12 -29.28 67.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.8 OUTLIER -135.06 99.22 12.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 -10.93 21.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.494 1.786 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -97.64 29.58 3.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -128.38 45.67 1.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.428 1.08 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 197' ' ' TYR . . . . . 0.49 ' CG ' ' O ' ' A' ' 197' ' ' TYR . 6.4 p90 -62.99 129.36 40.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 0.79 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.66 -62.19 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 108.329 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 94.37 63.6 1.03 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.482 1.113 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 3.0 mp -60.67 106.22 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.52 0.777 . . . . 0.0 109.202 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 147.75 60.06 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -142.45 158.46 26.95 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 6.7 tt -80.49 120.08 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.266 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -110.74 68.27 0.22 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 73.8 t -129.83 -58.46 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 64.2 p -69.59 71.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 32.0 mt -99.75 152.58 37.85 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 152.54 40.61 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.502 1.791 . . . . 0.0 110.95 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 141.72 27.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -86.97 151.86 22.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 tp -60.09 160.13 8.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -49.79 -43.31 48.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -55.67 171.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.98 -66.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -107.73 138.32 44.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -52.21 -48.42 65.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.58 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.467 HD23 ' H ' ' A' ' 8' ' ' LEU . 1.2 pt? -94.6 175.28 6.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.425 HG12 ' CA ' ' A' ' 91' ' ' GLY . 9.3 p -87.28 149.38 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.45 161.74 66.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.054 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -30.27 7.48 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.452 1.764 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.42 -24.72 61.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -91.42 -39.75 11.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.87 98.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.07 159.05 30.86 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 100.37 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.758 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.83 -89.0 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.445 1.09 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -108.45 132.2 54.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -93.52 27.72 2.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -125.45 129.59 24.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 137.92 22.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.767 . . . . 0.0 111.017 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.404 ' HE1' ' HA ' ' A' ' 81' ' ' THR . 0.0 OUTLIER -71.57 154.17 93.33 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.423 1.077 . . . . 0.0 110.966 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 125.11 9.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.634 HG21 ' CB ' ' A' ' 181' ' ' TYR . 11.1 t -123.13 138.97 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.05 159.56 3.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 m -80.1 -29.84 39.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.424 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.477 ' CB ' ' C ' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -142.89 143.13 31.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.365 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.552 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 14.9 t-80 -39.42 150.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.624 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.888 ' HB3' ' HG3' ' A' ' 188' ' ' GLN . . . -80.44 -33.45 36.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.891 HG11 ' CE2' ' A' ' 60' ' ' TRP . 53.8 t -84.52 -69.52 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -52.3 -39.84 61.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.38 19.54 76.38 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.424 1.077 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.477 ' C ' ' CB ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -121.46 162.12 21.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 109.639 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.458 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 1.2 t -41.42 145.96 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.954 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.47 -33.61 10.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.964 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 t -87.84 -35.2 17.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.458 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 1.2 t-20 -63.82 138.25 58.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.591 HG21 HD11 ' A' ' 44' ' ' ILE . 8.2 t -130.72 117.69 17.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 149.12 36.36 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.539 1.81 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.77 134.87 56.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.32 4.39 66.37 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.699 ' HE2' ' HB2' ' A' ' 66' ' ' TYR . 3.3 ttm -107.93 152.43 24.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 0.825 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 0.7 OUTLIER -140.23 161.28 38.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.173 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.762 HG12 HG22 ' A' ' 99' ' ' VAL . 3.6 mt -113.63 154.81 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -144.58 130.6 19.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.63 HD12 ' HB1' ' A' ' 176' ' ' ALA . 7.7 mt -101.22 127.23 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -141.94 147.66 37.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -134.7 126.37 28.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.517 ' HB2' HG11 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -135.05 175.56 9.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 110.981 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -42.39 -77.39 0.08 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.663 ' HB3' HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -71.39 -179.73 2.6 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.542 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -141.78 -48.99 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 111.051 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.793 ' CZ3' ' CE1' ' A' ' 189' ' ' TYR . 26.5 m0 -67.14 -42.38 84.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 107.993 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.19 -34.66 36.42 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.591 1.182 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.663 HG23 ' HB3' ' A' ' 51' ' ' CYS . 78.7 t -73.37 -50.14 32.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.554 0.797 . . . . 0.0 109.248 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 188' ' ' GLN . 1.5 tt0 -51.19 -55.41 18.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.214 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.03 -26.57 68.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.582 HD22 ' CG ' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -65.61 -23.51 66.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.524 ' O ' HG21 ' A' ' 65' ' ' VAL . 22.3 m-85 -81.35 -49.75 10.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.891 ' CE2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -69.17 -53.91 17.6 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.503 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 4.6 mm-40 -48.9 -22.5 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.739 HD23 HG23 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -76.73 141.4 68.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.05 115.15 4.2 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.797 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.443 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 128.44 -18.95 5.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.739 HG23 HD23 ' A' ' 62' ' ' LEU . 25.6 t -89.07 121.48 39.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 0.775 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.699 ' HB2' ' HE2' ' A' ' 42' ' ' MET . 3.0 t80 -75.51 -47.8 25.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.434 1.084 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.1 m -162.63 164.03 26.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.961 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.438 ' O ' ' NE2' ' A' ' 28' ' ' HIS . 35.1 p -146.7 140.62 26.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -120.0 141.66 49.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.786 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -103.2 140.48 37.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.793 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -168.79 -154.49 8.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -136.61 168.59 19.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 111.046 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 t -175.33 174.74 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.34 -19.52 39.16 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.435 1.084 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.516 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -86.38 -176.98 49.71 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -113.91 -21.49 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.429 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 9.0 m -74.95 117.43 62.62 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.396 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.17 31.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.471 1.774 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.428 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 89.4 m-20 48.56 64.04 9.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -75.0 160.73 39.81 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.467 1.772 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 85' ' ' VAL . 83.2 m -118.04 153.64 33.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -52.83 -40.37 63.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.9 mtm-85 -69.27 -45.03 70.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.68 -44.31 82.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.241 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.422 ' CG2' ' HB2' ' A' ' 80' ' ' PRO . 55.6 t -61.01 -40.93 87.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.7 t -61.53 -30.65 70.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.042 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.3 m -67.37 -39.2 85.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.062 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.52 8.33 61.1 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.431 1.082 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -88.09 5.7 39.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 0.766 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 p -106.17 -16.8 14.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.425 ' CA ' HG12 ' A' ' 9' ' ' VAL . . . 58.09 19.99 40.6 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.516 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 42.2 m-70 -91.4 156.56 17.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 0.734 . . . . 0.0 109.638 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -122.18 167.96 12.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.406 1.066 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -81.15 110.11 16.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.226 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.86 152.71 50.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.786 HG12 ' HA ' ' A' ' 70' ' ' ALA . 19.7 m -141.14 158.0 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.225 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.502 ' HG3' ' CG ' ' A' ' 179' ' ' PHE . 17.8 mtm180 -99.73 141.67 32.22 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.519 HG12 ' CG ' ' A' ' 59' ' ' PHE . 5.1 mp -126.94 116.0 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 109.246 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.762 HG22 HG12 ' A' ' 44' ' ' ILE . 20.8 t -105.72 107.13 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.434 ' CD2' HD11 ' A' ' 110' ' ' LEU . 41.9 p90 -126.91 -179.88 5.05 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.47 133.41 24.02 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 0.41 8.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.569 1.826 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.8 t -94.59 -24.07 17.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.3 t -104.8 -48.56 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.471 ' CD1' ' HG ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -132.07 136.11 57.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.454 ' O ' HD13 ' A' ' 105' ' ' ILE . 5.6 p -91.36 161.7 14.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.975 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.632 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 28.8 p90 -60.8 -38.45 85.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.632 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.3 OUTLIER -58.43 -39.99 81.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -59.82 -34.79 73.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.471 ' HG ' ' CD1' ' A' ' 105' ' ' ILE . 63.2 mt -65.64 -46.51 78.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.574 ' HB3' ' CZ2' ' A' ' 115' ' ' TRP . 2.1 mt -67.19 -34.54 77.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -56.78 -50.51 72.1 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 117' ' ' ASN . 0.3 OUTLIER -74.24 -33.52 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.428 ' HA ' ' HE3' ' A' ' 49' ' ' MET . 17.5 t80 -54.43 -53.18 57.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.574 ' CZ2' ' HB3' ' A' ' 111' ' ' LEU . 1.4 m0 -59.69 -25.82 65.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.128 . . . . 0.0 108.015 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.91 -30.01 28.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.582 ' CG ' HD22 ' A' ' 58' ' ' LEU . 13.7 t-20 -97.11 4.13 51.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.362 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.447 ' NE2' ' CB ' ' A' ' 136' ' ' SER . 6.3 t-160 -83.33 174.89 10.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.573 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -117.37 160.13 38.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.378 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 159.57 40.93 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -86.8 124.54 33.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -124.23 -2.23 8.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 74.54 0.11 57.37 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.63 145.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -85.04 121.39 27.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -108.14 178.85 4.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 127.0 -60.72 0.65 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.475 1.11 . . . . 0.0 110.966 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -173.79 -47.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 0.782 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -121.98 134.07 54.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -62.36 -37.17 84.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.661 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.488 ' HA3' ' CE2' ' A' ' 134' ' ' TYR . . . 39.87 81.32 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 11.8 p -84.65 -14.59 48.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 0.772 . . . . 0.0 110.323 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -50.12 -45.8 53.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 38.0 p90 -100.38 125.33 46.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.9 171.02 14.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.447 ' CB ' ' NE2' ' A' ' 118' ' ' HIS . 50.5 m -97.6 108.48 21.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.007 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -144.54 149.35 35.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.841 HG22 ' HD3' ' A' ' 140' ' ' PRO . 59.4 mt -112.46 131.27 64.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -129.42 76.19 79.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.841 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.3 Cg_endo -75.01 166.75 28.54 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.518 1.799 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.732 HD22 ' HB3' ' A' ' 176' ' ' ALA . 0.2 OUTLIER -110.21 -43.37 3.95 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.4 p -83.16 158.71 63.76 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -37.28 2.08 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -63.32 -33.6 75.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.342 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -70.02 -42.21 73.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.323 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -52.68 60.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -52.93 -51.08 62.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.49 96.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.96 -58.39 8.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 151' ' ' ALA . 25.7 ptt180 -63.6 -30.32 71.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 150' ' ' ARG . . . -60.07 -38.82 83.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.551 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 8.4 p -72.08 -32.99 67.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.541 HD23 ' C ' ' A' ' 153' ' ' LEU . 5.5 tt -62.26 -52.77 62.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -60.09 -45.77 91.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -50.89 69.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.353 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -64.27 -44.81 90.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.37 -41.95 88.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 110.25 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -60.18 -46.62 89.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.545 ' O ' ' HB3' ' A' ' 162' ' ' ALA . . . -65.91 -42.24 90.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 6.1 tmm? -60.56 -48.22 82.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -27.6 69.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 159' ' ' ALA . . . -61.73 -16.77 52.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -74.66 -7.85 54.53 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.0 t70 76.18 21.16 1.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.367 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -107.0 149.92 27.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.05 15.99 20.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -84.23 68.31 10.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 1.073 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -70.64 141.79 51.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.609 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.531 HG22 ' HB ' ' A' ' 171' ' ' THR . 2.0 mp -63.97 135.41 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 32.9 m -92.88 33.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.531 ' HB ' HG22 ' A' ' 169' ' ' ILE . 0.4 OUTLIER -85.33 131.63 34.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.383 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -121.39 139.31 53.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 20.1 mt -115.6 128.3 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.13 167.85 21.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -44.38 166.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.732 ' HB3' HD22 ' A' ' 141' ' ' LEU . . . -86.6 89.51 7.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 31.0 p -59.22 163.25 6.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.395 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 113.46 3.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.77 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.578 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.1 OUTLIER -76.72 142.84 40.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.607 1.192 . . . . 0.0 110.992 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 180' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 181' ' ' TYR . 5.1 m-85 -120.45 107.77 13.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.634 ' CB ' HG21 ' A' ' 24' ' ' VAL . 63.4 m-85 -36.45 150.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 111.045 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.793 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -113.96 174.07 6.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.401 ' HB2' ' CD2' ' A' ' 186' ' ' HIS . 11.8 mt-10 -44.45 130.49 6.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -51.83 -24.12 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.21 -38.86 82.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 186' ' ' HIS . . . . . 0.401 ' CD2' ' HB2' ' A' ' 183' ' ' GLU . 53.0 m-70 -74.3 -46.0 43.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 109.627 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 0.621 ' O ' ' HG2' ' A' ' 188' ' ' GLN . 8.2 mt-30 -48.89 129.93 17.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.888 ' HG3' ' HB3' ' A' ' 29' ' ' ALA . 0.3 OUTLIER 34.58 56.98 0.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.793 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 6.2 t80 -85.03 -27.55 26.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.25 -46.33 67.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.522 ' CG ' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -57.24 -28.9 63.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.573 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.7 -33.07 72.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.5 OUTLIER -133.78 100.45 13.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -20.37 16.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.533 1.807 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -92.8 13.79 19.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -121.39 50.96 0.81 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -71.31 141.58 50.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 0.775 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 23.6 p -97.59 105.44 17.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 108.308 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -45.33 128.79 8.53 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.553 1.158 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 21.0 mm -68.29 129.41 32.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.459 0.741 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 147.28 -43.41 0.85 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 202' ' ' GLY . . . . . 0.906 ' C ' HD13 ' A' ' 203' ' ' ILE . . . 143.13 48.16 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.906 HD13 ' C ' ' A' ' 202' ' ' GLY . 0.2 OUTLIER 40.32 -162.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.525 0.779 . . . . 0.0 109.338 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 155.59 55.93 0.01 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 26.3 t -142.48 -51.96 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 30.9 t -48.85 150.94 1.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 110.042 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 10.0 mt -98.99 151.15 37.26 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.381 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 208' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 209' ' ' PRO . 18.4 Cg_endo -75.01 150.29 37.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 111.036 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 209' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 208' ' ' PRO . 18.5 Cg_endo -74.96 -53.23 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.588 1.836 . . . . 0.0 110.988 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -109.27 157.87 18.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.388 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.087 . . . . 0.0 109.311 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.2 tp -79.95 -53.19 6.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -49.95 142.91 8.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.112 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.57 -39.87 92.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.34 102.19 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -61.26 132.27 53.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.459 ' HB3' ' CE ' ' A' ' 124' ' ' MET . 69.6 m-70 -113.99 72.0 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.66 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -178.39 -176.58 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.527 HG11 ' O ' ' A' ' 88' ' ' GLY . 5.4 p -82.83 144.54 9.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.64 167.91 26.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.912 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -25.35 11.96 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.432 1.754 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.93 -23.03 58.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.93 -30.75 14.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.88 88.54 7.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.466 ' N ' HD22 ' A' ' 15' ' ' LEU . 3.2 mm? -87.62 157.77 52.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 124.47 8.61 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.533 1.807 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -104.88 -89.77 2.13 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.458 1.099 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.48 135.23 41.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.407 0.71 . . . . 0.0 110.268 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -118.45 42.97 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -99.05 120.23 58.9 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.373 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.495 ' N ' HD22 ' A' ' 79' ' ' ASN . 18.2 Cg_endo -75.04 131.21 13.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.402 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -83.0 144.1 46.99 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 22' ' ' MET . 18.4 Cg_endo -74.96 139.22 24.14 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.522 1.801 . . . . 0.0 111.056 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 181' ' ' TYR . 43.0 t -130.64 130.88 64.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.26 165.42 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.543 1.152 . . . . 0.0 109.233 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.928 ' C ' HD13 ' A' ' 27' ' ' LEU . 35.3 m -88.5 -42.7 11.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.442 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.928 HD13 ' C ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -112.79 159.15 19.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.564 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 18.6 t-80 -69.11 158.56 34.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.638 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.34 -27.8 27.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.239 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.649 HG22 ' CG ' ' A' ' 191' ' ' HIS . 58.4 t -94.83 -66.4 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 4.0 t-20 -55.76 -40.08 72.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.9 15.41 79.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.575 ' CG ' ' N ' ' A' ' 34' ' ' SER . 1.3 t-80 -128.13 169.18 14.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.655 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.575 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.5 OUTLIER -53.9 131.67 40.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -99.34 -17.1 18.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.44 HG23 ' N ' ' A' ' 37' ' ' ASN . 15.0 t -88.09 -50.63 6.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.405 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.44 ' N ' HG23 ' A' ' 36' ' ' THR . 19.4 t-20 -54.64 140.97 33.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.916 HG21 HD11 ' A' ' 44' ' ' ILE . 16.5 t -126.35 109.69 23.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.224 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.14 148.06 34.25 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.465 1.771 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -57.55 133.54 55.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.405 ' O ' ' OD1' ' A' ' 101' ' ' ASP . . . 99.47 -4.52 58.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.412 1.07 . . . . 0.0 111.049 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.548 ' HE2' ' HB2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -102.49 164.33 11.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 0.743 . . . . 0.0 111.02 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -140.91 159.11 42.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.916 HD11 HG21 ' A' ' 38' ' ' VAL . 2.7 mp -115.53 148.41 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -140.7 134.23 30.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.39 1.056 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.814 HG21 ' CE2' ' A' ' 179' ' ' PHE . 91.2 mt -114.43 134.24 58.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.541 ' CD2' ' CZ ' ' A' ' 59' ' ' PHE . 62.3 m-85 -145.08 165.18 28.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 111.023 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.484 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -148.32 125.88 11.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.716 ' HB2' HG11 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -133.26 165.56 24.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -38.82 -70.75 0.28 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.634 ' CB ' HG23 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -60.7 179.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -136.85 -53.49 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.408 ' HB3' HD23 ' A' ' 190' ' ' LEU . 25.3 m0 -82.14 -36.23 27.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 107.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -69.1 -41.14 82.04 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.57 1.169 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.716 HG11 ' HB2' ' A' ' 49' ' ' MET . 59.8 t -69.66 -61.82 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.453 0.737 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.498 ' HG3' ' CZ3' ' A' ' 60' ' ' TRP . 8.1 pt-20 -49.63 -40.25 38.76 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.526 ' HA ' ' CD2' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -65.08 -33.7 76.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.645 HD23 ' HA ' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -76.76 -20.73 56.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.39 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.541 ' CZ ' ' CD2' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -76.49 -51.44 11.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.526 ' CD2' ' HA ' ' A' ' 57' ' ' ARG . 0.8 OUTLIER -72.16 -11.79 60.89 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.46 -7.44 57.65 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.09 HD11 HG21 ' A' ' 113' ' ' VAL . 0.8 OUTLIER -81.56 137.37 48.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.648 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.4 Cg_endo -74.93 108.2 2.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.56 -9.1 5.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 111.055 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.4 HG13 HG23 ' A' ' 98' ' ' ILE . 54.2 t -86.73 121.93 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.572 0.807 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.548 ' HB2' ' HE2' ' A' ' 42' ' ' MET . 0.7 OUTLIER -75.82 -54.7 6.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.949 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 m -157.72 161.24 38.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.417 HG22 ' HA ' ' A' ' 98' ' ' ILE . 64.1 p -140.45 149.41 42.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 110.463 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.424 ' HB1' ' CE2' ' A' ' 181' ' ' TYR . . . -137.47 123.51 20.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.421 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -82.59 140.02 33.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -160.01 -174.84 30.29 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -118.52 154.66 32.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.753 . . . . 0.0 111.04 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.888 HG21 ' CZ ' ' A' ' 179' ' ' PHE . 11.5 t -151.2 166.88 29.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.463 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.21 -43.42 2.93 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 110.933 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.498 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -56.19 161.67 6.62 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -103.87 -20.63 13.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.773 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 3.5 m -84.08 128.4 62.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.377 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.3 Cg_endo -75.04 166.29 29.46 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.561 1.821 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.495 HD22 ' N ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER 40.28 66.2 3.46 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.56 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 18.5 Cg_endo -74.95 146.23 32.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.557 1.82 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.905 ' O ' HG23 ' A' ' 85' ' ' VAL . 90.0 m -114.04 162.62 16.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -62.57 -39.56 94.07 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -41.04 68.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 110.31 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -66.82 -44.3 81.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.257 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 81' ' ' THR . 57.3 t -66.83 -41.29 87.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.1 t -59.67 -27.81 66.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.085 . . . . 0.0 109.952 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.3 t -71.59 -39.06 70.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.527 ' O ' HG11 ' A' ' 9' ' ' VAL . . . 87.38 14.75 63.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.049 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -86.12 -2.68 58.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.391 0.701 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.5 p -108.91 -24.53 11.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.65 6.81 78.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.56 ' CD2' ' HB3' ' A' ' 80' ' ' PRO . 23.0 m-70 -60.29 149.06 34.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 0.747 . . . . 0.0 109.633 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -120.56 152.57 37.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.363 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.484 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 13.5 pt-20 -69.96 136.71 50.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.523 ' HB1' ' HE2' ' A' ' 179' ' ' PHE . . . -157.91 163.99 37.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.462 HG11 ' HB3' ' A' ' 56' ' ' GLU . 19.1 m -149.87 139.62 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.152 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -93.05 144.34 25.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 110.218 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.524 HG12 ' CD1' ' A' ' 59' ' ' PHE . 5.4 mp -134.48 120.59 33.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.735 HG22 ' CG1' ' A' ' 44' ' ' ILE . 91.2 t -109.62 103.82 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.737 ' CD1' HG23 ' A' ' 105' ' ' ILE . 30.0 p90 -124.22 179.49 4.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 41' ' ' GLY . 0.1 OUTLIER -110.64 138.0 20.9 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.0 Cg_endo -75.06 1.16 8.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.34 -25.99 16.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.1 t -101.97 -50.24 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.737 HG23 ' CD1' ' A' ' 100' ' ' TYR . 3.7 tp -123.14 143.72 35.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.1 p -112.63 162.84 15.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.637 ' HE2' ' HB2' ' A' ' 148' ' ' ALA . 29.3 p90 -57.11 -37.38 71.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.461 ' N ' ' CG ' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -62.88 -42.07 99.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 110.221 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.594 ' O ' HG23 ' A' ' 113' ' ' VAL . 78.3 mt-30 -64.81 -44.68 89.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.702 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 16.8 mt -68.11 -41.22 82.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.57 ' HB3' ' CZ2' ' A' ' 115' ' ' TRP . 1.5 mm? -63.42 -36.65 84.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -65.54 -43.11 90.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 1.09 HG21 HD11 ' A' ' 62' ' ' LEU . 75.4 t -59.13 -38.7 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 118' ' ' HIS . 3.2 t80 -62.09 -47.41 84.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.57 ' CZ2' ' HB3' ' A' ' 111' ' ' LEU . 3.9 m0 -66.05 -17.24 64.56 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -86.29 -38.26 17.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.625 ' CG ' HD22 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -96.75 5.33 50.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 114' ' ' PHE . 0.5 OUTLIER -61.52 145.43 51.93 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.478 1.111 . . . . 0.0 109.627 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -104.13 162.64 19.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.241 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 152.67 41.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.452 ' HB1' ' O ' ' A' ' 168' ' ' HIS . . . -90.29 140.39 29.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -136.69 31.23 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 48.41 93.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.563 1.164 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.459 ' CE ' ' HB3' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -43.4 104.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 110.969 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.29 165.31 12.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.62 152.35 39.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 123.73 -71.56 0.43 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 130' ' ' HIS . 3.0 m120 -80.69 87.84 5.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.55 92.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 128' ' ' ASN . 77.2 m-70 -152.6 70.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.572 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 115.84 30.41 2.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 9.0 m -75.01 -56.64 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 0.0 110.354 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -80.36 -16.18 55.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.276 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -96.28 91.74 6.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.947 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -129.88 172.79 11.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.599 1.187 . . . . 0.0 110.288 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 30.4 p -106.78 132.62 52.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.028 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.405 ' H ' ' HB3' ' A' ' 48' ' ' ALA . . . -152.86 152.96 32.14 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.561 HG22 ' HD3' ' A' ' 140' ' ' PRO . 4.6 mt -111.63 133.17 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.451 ' HB2' HG22 ' A' ' 46' ' ' ILE . 89.2 m-85 -130.14 75.72 78.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.561 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.1 Cg_endo -75.01 156.41 42.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 110.944 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.409 HD13 ' HB3' ' A' ' 176' ' ' ALA . 24.4 tp -110.33 -34.64 6.29 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.488 1.118 . . . . 0.0 109.384 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.401 ' OG1' ' CD ' ' A' ' 145' ' ' GLN . 21.8 p -91.86 162.68 30.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 0.0 110.384 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -34.62 3.63 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.532 1.807 . . . . 0.0 110.964 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.91 -38.77 92.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.401 ' CD ' ' OG1' ' A' ' 142' ' ' THR . 47.1 mt-30 -67.0 -45.08 78.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.74 -46.65 89.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.172 . . . . 0.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -53.06 -50.19 64.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.637 ' HB2' ' HE2' ' A' ' 107' ' ' TYR . . . -68.72 -44.22 74.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.85 -59.23 5.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.28 -38.02 87.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.342 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -62.65 -47.49 83.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.497 ' HB2' ' CE2' ' A' ' 115' ' ' TRP . 1.9 p -63.99 -47.48 80.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.03 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 153' ' ' LEU . 4.2 tt -52.92 -50.86 63.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.53 -43.07 95.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 159' ' ' ALA . 0.0 OUTLIER -58.63 -51.94 67.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -63.64 -41.48 98.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -61.93 -51.68 67.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.18 -48.18 62.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.518 ' O ' ' HB3' ' A' ' 162' ' ' ALA . . . -51.75 -49.84 61.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.386 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 33.1 ttp -61.98 -48.2 81.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.963 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -24.9 63.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 159' ' ' ALA . . . -71.22 -21.42 62.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -85.4 7.2 23.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.17 35.41 10.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -111.02 132.19 54.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.65 63.53 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.097 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' ARG . . . . . 0.418 ' HB3' ' HB3' ' A' ' 121' ' ' ALA . 0.1 OUTLIER -126.3 77.63 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 110.288 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.452 ' O ' ' HB1' ' A' ' 121' ' ' ALA . 31.7 m170 -54.6 139.47 38.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 109.614 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.5 mt -82.58 149.3 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 88.2 m -94.65 35.87 1.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.448 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.6 m -96.78 123.12 40.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 110.42 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.99 124.46 42.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 9.8 mt -97.39 120.92 47.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -137.8 169.23 18.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -53.2 155.1 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.409 ' HB3' HD13 ' A' ' 141' ' ' LEU . . . -87.59 82.97 7.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' THR . . . . . 0.428 ' HB ' ' HD2' ' A' ' 178' ' ' PRO . 69.0 p -76.85 163.71 63.83 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 178' ' ' PRO . . . . . 0.428 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.3 Cg_endo -74.96 103.06 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.44 1.758 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.888 ' CZ ' HG21 ' A' ' 73' ' ' THR . 7.3 m-30 -76.49 145.84 38.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.596 1.185 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 180' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 181' ' ' TYR . 19.2 m-85 -89.63 114.68 26.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.564 ' HB3' HG21 ' A' ' 24' ' ' VAL . 30.9 m-85 -37.22 155.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -104.82 174.22 5.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.12 142.04 7.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.262 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -53.18 -28.46 26.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -45.12 93.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -62.71 -46.03 90.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.617 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -51.83 98.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.564 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 5.7 mp0 62.78 60.8 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.253 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.452 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 15.2 t80 -84.19 -25.4 29.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.408 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -70.78 -44.13 67.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.649 ' CG ' HG22 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -58.34 -38.29 76.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.608 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -36.95 77.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.9 OUTLIER -139.02 106.41 7.37 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -9.5 20.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -97.92 30.23 3.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -116.91 45.33 1.3 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.156 . . . . 0.0 111.004 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 197' ' ' TYR . . . . . 0.439 ' O ' ' CG ' ' A' ' 197' ' ' TYR . 9.0 p90 -60.39 131.23 50.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -107.56 145.49 33.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 108.287 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -67.96 107.95 2.26 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 66.4 mt -106.68 -68.36 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.756 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 86.01 72.37 1.29 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.583 1.177 . . . . 0.0 111.051 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -173.99 -45.79 0.05 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.698 HD13 ' N ' ' A' ' 204' ' ' GLY . 0.0 OUTLIER -41.58 135.59 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.269 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 204' ' ' GLY . . . . . 0.698 ' N ' HD13 ' A' ' 203' ' ' ILE . . . -156.37 -50.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 205' ' ' VAL . . . . . 0.408 ' H ' HG22 ' A' ' 205' ' ' VAL . 1.2 m -52.88 -41.57 40.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.478 0.752 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.57 180.0 7.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.974 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 207' ' ' LEU . 3.9 mm? -71.36 115.87 41.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 169.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.554 1.818 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 165.41 31.3 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 110.955 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.16 -63.86 0.51 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 110.26 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.358 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.451 -0.375 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.93 57.36 2.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -135.87 171.37 14.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 111.055 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -146.55 122.97 11.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.34 170.0 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.613 1.195 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.17 147.72 7.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.435 ' O ' ' ND1' ' A' ' 7' ' ' HIS . 26.0 p80 -82.12 110.45 17.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.533 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.63 -166.73 1.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.6 p -50.18 144.79 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m -65.79 157.24 80.51 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.432 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.09 -26.44 10.77 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.01 -29.88 71.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.21 -38.52 11.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.432 ' HB3' ' HA ' ' A' ' 11' ' ' PRO . . . -64.84 178.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.492 HD22 ' HG3' ' A' ' 84' ' ' GLU . 0.6 OUTLIER -99.91 155.39 36.51 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' GLY . 18.0 Cg_endo -75.09 108.28 2.68 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . -37.19 120.81 0.75 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -89.86 166.49 13.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 0.0 110.28 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.01 26.77 8.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.8 m -101.31 107.61 51.43 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.437 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 136.73 20.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 111.057 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 47.7 tpp -70.3 132.38 87.94 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 128.92 11.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.732 HG21 ' HB3' ' A' ' 181' ' ' TYR . 25.1 t -136.47 144.1 33.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.02 152.67 38.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.748 HG22 HD13 ' A' ' 27' ' ' LEU . 1.8 m -78.09 -40.89 36.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.748 HD13 HG22 ' A' ' 26' ' ' THR . 0.1 OUTLIER -107.88 139.29 42.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.265 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.527 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 18.0 t-80 -52.65 154.51 2.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.642 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.5 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -82.26 -27.76 32.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 1.076 HG11 ' CE2' ' A' ' 60' ' ' TRP . 77.0 t -95.16 -66.54 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -54.82 -36.81 65.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.1 19.71 79.76 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.546 1.153 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.511 ' CG ' ' N ' ' A' ' 34' ' ' SER . 1.6 t-80 -127.97 164.99 21.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 109.549 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.511 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -43.41 144.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.997 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.8 mtp -97.57 -64.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 111.055 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.42 HG23 ' H ' ' A' ' 36' ' ' THR . 46.1 p -53.67 -50.53 65.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.354 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -56.15 127.13 29.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.431 HG22 HG11 ' A' ' 99' ' ' VAL . 36.9 t -125.72 129.88 24.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 38' ' ' VAL . 18.2 Cg_endo -75.01 142.88 28.34 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.516 1.798 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.12 129.0 29.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.55 -9.51 32.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.443 1.089 . . . . 0.0 111.038 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.454 ' HE1' ' HB2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -104.66 155.09 19.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 111.053 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -134.12 159.6 40.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.809 ' CG1' HG22 ' A' ' 99' ' ' VAL . 3.8 mt -106.02 147.03 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -138.95 132.17 29.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.554 HG22 ' CD2' ' A' ' 139' ' ' TYR . 6.9 mt -111.47 137.01 45.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -150.57 161.51 42.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.617 ' HB3' ' H ' ' A' ' 137' ' ' ALA . . . -129.65 117.98 21.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.375 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.793 ' HB3' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -121.21 177.02 5.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -55.36 -77.36 0.15 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.3 m -65.01 178.83 0.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.558 ' CE2' ' HB1' ' A' ' 70' ' ' ALA . 3.3 t80 -126.18 -49.19 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.518 ' CG ' ' HB3' ' A' ' 189' ' ' TYR . 12.1 m0 -83.22 -38.24 22.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 107.95 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.72 -47.77 86.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.128 . . . . 0.0 111.059 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.793 HG11 ' HB3' ' A' ' 49' ' ' MET . 32.0 m -70.65 -53.81 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.276 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.547 ' N ' HG23 ' A' ' 55' ' ' VAL . 1.8 tt0 -49.33 -53.91 19.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -64.33 -27.89 69.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.233 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -41.64 75.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.597 ' O ' HG21 ' A' ' 65' ' ' VAL . 6.6 m-85 -57.76 -49.95 74.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 1.076 ' CE2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -68.29 -54.87 14.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 108.083 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.521 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 1.6 mm100 -48.91 -22.49 0.85 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.107 HD11 HG11 ' A' ' 113' ' ' VAL . 10.4 mt -76.05 142.22 72.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 113.03 3.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.443 1.759 . . . . 0.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.83 -21.76 4.4 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.487 1.117 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.597 HG21 ' O ' ' A' ' 59' ' ' PHE . 70.7 t -88.27 125.75 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.571 0.806 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.454 ' HB2' ' HE1' ' A' ' 42' ' ' MET . 2.8 t80 -81.22 -56.99 3.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.9 p -148.57 160.05 43.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.096 . . . . 0.0 110.05 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 20.4 p -141.22 167.73 21.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.355 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.657 ' HB3' ' HG2' ' A' ' 97' ' ' ARG . . . -153.14 142.91 22.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.669 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -97.79 139.85 33.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.077 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.723 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -168.3 -159.26 13.55 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.401 ' HA ' ' O ' ' A' ' 93' ' ' ALA . 5.1 m-85 -147.43 168.99 20.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 111.006 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.0 t -172.53 166.55 5.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.474 1.109 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.47 -12.49 67.74 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.428 1.08 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.505 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -77.16 172.13 55.13 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.491 ' C ' ' CD1' ' A' ' 76' ' ' TYR . 0.6 OUTLIER -106.76 -29.16 9.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 0.807 . . . . 0.0 111.031 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.5 m -79.28 127.7 78.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.441 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -75.0 166.34 29.4 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.575 1.829 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.402 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 54.8 m-80 40.44 64.6 4.6 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.538 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 18.5 Cg_endo -74.94 147.27 33.96 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.519 1.799 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.9 m -116.33 155.62 28.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.464 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -56.2 -48.14 76.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -38.84 84.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.594 1.184 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.492 ' HG3' HD22 ' A' ' 15' ' ' LEU . 1.6 tt0 -68.04 -45.11 74.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.246 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.1 t -59.78 -38.82 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.263 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.437 ' O ' ' NE2' ' A' ' 133' ' ' GLN . 22.8 t -54.34 -21.29 9.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.049 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.9 m -64.64 -40.11 94.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 82.66 1.12 90.5 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.454 1.096 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -97.17 17.55 16.94 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.583 0.814 . . . . 0.0 109.339 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.428 ' CG2' ' OE2' ' A' ' 84' ' ' GLU . 6.1 p -108.59 -14.1 14.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.19 5.9 59.9 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.538 ' CD2' ' HB3' ' A' ' 80' ' ' PRO . 53.4 m-70 -73.04 151.58 41.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 0.799 . . . . 0.0 109.58 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 72' ' ' TYR . . . -126.57 154.98 43.16 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.536 1.147 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -74.35 112.36 10.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.65 153.93 51.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.669 HG12 ' HA ' ' A' ' 70' ' ' ALA . 15.9 m -142.99 141.78 26.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.657 ' HG2' ' HB3' ' A' ' 69' ' ' ALA . 0.7 OUTLIER -93.16 128.97 39.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.537 HG12 ' CG ' ' A' ' 59' ' ' PHE . 3.0 mp -117.03 129.82 72.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.809 HG22 ' CG1' ' A' ' 44' ' ' ILE . 87.9 t -114.36 99.96 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.252 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.693 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 8.0 p90 -123.15 175.15 6.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.55 133.5 20.15 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.196 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.02 9.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.802 . . . . 0.0 111.009 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.26 -19.46 17.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.0 t -103.67 -49.37 9.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.8 tt -121.84 155.14 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 p -114.83 148.41 38.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.083 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.523 ' CE1' ' HG3' ' A' ' 108' ' ' GLU . 51.5 p90 -50.31 -29.51 9.93 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.479 1.112 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.523 ' HG3' ' CE1' ' A' ' 107' ' ' TYR . 0.5 OUTLIER -72.73 -31.61 65.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -40.36 85.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.693 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 8.3 mt -69.62 -41.8 75.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.249 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.24 -38.29 90.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.51 -54.2 26.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 1.107 HG11 HD11 ' A' ' 62' ' ' LEU . 21.7 t -63.01 -44.91 99.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.596 1.185 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.505 ' CE1' ' HG3' ' A' ' 49' ' ' MET . 32.4 t80 -51.63 -53.16 41.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.673 ' HH2' HG21 ' A' ' 171' ' ' THR . 42.4 m95 -67.19 -24.78 65.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 107.981 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -70.62 -32.15 69.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -103.9 4.35 34.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -72.37 160.53 32.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.613 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -99.16 144.91 29.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 160.33 40.12 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 167' ' ' ARG . . . -84.76 124.91 32.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.332 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.31 34.68 3.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 125' ' ' ARG . . . 82.86 24.6 52.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 5.4 ppp? -37.77 -31.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.757 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 123' ' ' GLY . 0.4 OUTLIER -98.11 120.11 37.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -128.36 172.16 11.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -39.57 -63.71 1.14 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.451 1.095 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -128.49 93.96 3.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 0.804 . . . . 0.0 109.28 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -75.54 171.98 13.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -157.04 60.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.598 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 155.54 43.51 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 111.054 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 133' ' ' GLN . 45.7 m -80.68 -0.63 39.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 110.459 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 86' ' ' SER . 6.4 mt-30 -39.0 -54.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 32.5 p90 -86.17 125.13 33.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.3 173.63 11.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 171' ' ' THR . 14.2 p -111.06 98.57 7.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.079 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.617 ' H ' ' HB3' ' A' ' 48' ' ' ALA . . . -129.16 162.6 27.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.58 HG22 ' HD3' ' A' ' 140' ' ' PRO . 4.4 mt -125.47 126.98 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.364 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.554 ' CD2' HG22 ' A' ' 46' ' ' ILE . 80.9 m-85 -122.72 77.59 48.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.829 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.3 Cg_endo -75.04 162.74 36.54 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.521 1.801 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.522 HD22 ' HB3' ' A' ' 176' ' ' ALA . 0.2 OUTLIER -114.66 -10.11 12.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.47 HG23 ' CG ' ' A' ' 145' ' ' GLN . 0.3 OUTLIER -120.58 151.84 54.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.456 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 143' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 142' ' ' THR . 18.4 Cg_endo -74.96 -37.86 1.86 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.25 -48.75 78.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.356 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.47 ' CG ' HG23 ' A' ' 142' ' ' THR . 1.9 pt20 -69.82 -31.55 69.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.259 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.18 -44.97 92.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -69.88 -36.93 75.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -68.6 -43.98 75.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.03 -59.08 5.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -32.34 70.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -62.25 -43.89 97.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 109.238 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.7 p -75.57 -42.03 53.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.95 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.762 HD23 ' C ' ' A' ' 153' ' ' LEU . 0.6 OUTLIER -57.31 -51.37 69.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.689 ' N ' HD23 ' A' ' 153' ' ' LEU . 35.5 tp10 -60.7 -41.66 95.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -65.2 -43.03 92.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 115' ' ' TRP . 0.8 OUTLIER -60.41 -39.78 88.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 160' ' ' MET . 6.2 tt0 -65.32 -47.49 76.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.16 -30.97 67.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.79 77.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.524 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 9.9 ptm -67.92 -31.82 71.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.117 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.521 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -61.07 -38.6 86.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.66 -17.03 62.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 160' ' ' MET . . . -83.57 -0.93 52.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 5.5 t0 77.25 31.28 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -106.63 133.1 51.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.51 -11.19 27.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' ARG . . . . . 0.488 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 26.4 mmt-85 -72.6 69.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.238 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -65.71 145.73 55.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.103 . . . . 0.0 109.628 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.703 HD12 HG22 ' A' ' 171' ' ' THR . 2.1 pt -64.02 140.49 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 10.2 t -108.21 27.54 9.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.703 HG22 HD12 ' A' ' 169' ' ' ILE . 1.9 t -80.62 136.81 36.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.444 1.09 . . . . 0.0 110.37 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -120.04 139.26 52.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.575 HD11 HD13 ' A' ' 153' ' ' LEU . 15.8 mt -106.97 121.75 60.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -136.93 161.74 35.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.356 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -41.22 159.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.829 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -73.43 86.19 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 58.0 p -59.26 161.73 9.31 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 108.91 2.82 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.6 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.1 OUTLIER -76.84 145.08 38.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.32 112.77 19.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.732 ' HB3' HG21 ' A' ' 24' ' ' VAL . 43.5 m-85 -40.39 158.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.723 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -122.38 175.09 6.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -39.01 132.06 1.33 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.57 -24.13 19.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.78 -45.29 94.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -63.81 -38.79 92.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.588 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 0.598 ' OE1' ' HB3' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -53.88 109.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.52 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 10.0 mp0 54.82 56.82 6.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.518 ' HB3' ' CG ' ' A' ' 53' ' ' TRP . 9.0 t80 -84.04 -30.24 26.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.946 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.657 HD21 ' O ' ' A' ' 196' ' ' GLY . 0.1 OUTLIER -73.74 -46.38 46.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.249 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 1.03 ' CD2' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -60.35 -32.72 71.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.574 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.43 -47.78 82.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.1 OUTLIER -122.57 109.05 32.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.0 9.43 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -93.15 -9.74 38.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 196' ' ' GLY . . . . . 0.657 ' O ' HD21 ' A' ' 190' ' ' LEU . . . -87.48 75.72 2.1 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -76.98 110.25 11.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 0.739 . . . . 0.0 111.032 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 30.8 t -57.58 160.07 4.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 108.338 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -97.65 76.21 0.63 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 10.9 mt -87.58 -58.17 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -71.26 97.88 0.7 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 126.19 -159.73 20.56 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 2.2 pp -108.4 166.47 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.757 . . . . 0.0 109.281 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -73.34 -93.29 0.11 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.37 125.62 43.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 0.781 . . . . 0.0 109.341 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 27.0 p -106.37 -24.47 12.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.957 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 27.6 mt -98.11 151.48 37.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 157.25 42.8 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 108.59 2.75 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.531 1.806 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.97 -60.02 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.433 HD23 ' H ' ' A' ' 2' ' ' LEU . 0.5 OUTLIER -80.04 54.97 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -159.88 -172.06 3.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.984 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -116.97 78.5 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -114.72 134.04 55.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.257 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.85 120.54 42.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.352 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.2 145.05 36.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.581 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.4 tp -149.9 136.36 19.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.633 HG11 ' C ' ' A' ' 89' ' ' ASP . 9.9 p -94.57 153.9 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.57 171.65 11.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.012 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -42.47 0.5 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.47 1.774 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.21 -25.16 63.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.42 -39.38 20.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.56 1.163 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.66 113.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.2 mt -100.33 157.02 34.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 99.68 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.472 1.775 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.416 ' O ' ' NE ' ' A' ' 18' ' ' ARG . . . -58.61 -82.68 0.06 OUTLIER Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.5 1.125 . . . . 0.0 110.944 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.416 ' NE ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -134.14 166.53 22.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 0.793 . . . . 0.0 110.33 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -119.85 35.21 4.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.0 m -102.33 110.18 62.12 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.603 1.189 . . . . 0.0 110.41 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 137.9 22.26 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.512 1.796 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.4 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 29.1 mtt -76.2 146.5 78.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 22' ' ' MET . 18.6 Cg_endo -74.98 130.03 12.91 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.446 1.761 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.416 HG21 ' CG ' ' A' ' 181' ' ' TYR . 26.6 t -113.46 132.99 60.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.51 167.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.7 m -83.28 -37.56 23.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.158 . . . . 0.0 110.398 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.475 ' CB ' ' C ' ' A' ' 33' ' ' HIS . 0.5 OUTLIER -129.88 161.71 30.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.479 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.8 t-80 -58.75 160.48 5.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.677 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.748 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -85.46 -34.02 21.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.479 ' HB ' ' CE1' ' A' ' 28' ' ' HIS . 44.2 t -87.61 -67.51 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.16 -38.64 65.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.77 32.04 61.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.475 ' C ' ' CB ' ' A' ' 27' ' ' LEU . 20.5 t60 -135.84 158.49 44.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 0.794 . . . . 0.0 109.627 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.1 p -39.44 143.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 110.013 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.99 -62.81 1.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.7 t -49.88 -44.63 50.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.447 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -54.46 134.95 46.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.376 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.497 HG22 HG11 ' A' ' 99' ' ' VAL . 2.6 t -137.93 116.08 9.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.404 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -74.97 139.6 24.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.528 1.804 . . . . 0.0 111.056 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.65 131.79 30.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.35 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.63 -4.88 32.73 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.474 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -106.91 165.26 11.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 0.807 . . . . 0.0 110.98 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -145.29 165.66 27.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.619 HG12 HG22 ' A' ' 99' ' ' VAL . 3.3 mt -109.31 155.44 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -146.67 138.55 24.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.638 HD12 ' HB1' ' A' ' 176' ' ' ALA . 12.0 mt -117.03 146.67 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.241 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.544 ' CD2' ' CE2' ' A' ' 114' ' ' PHE . 33.8 m-85 -155.06 155.94 34.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.462 ' HB2' ' HE2' ' A' ' 139' ' ' TYR . . . -131.13 116.3 17.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.803 ' HB3' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -126.17 149.94 48.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.971 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -37.83 -42.92 1.16 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.579 1.175 . . . . 0.0 110.979 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.5 m -105.16 179.76 4.18 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 2.4 p90 -146.79 -44.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 111.062 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 22.4 m0 -64.72 -46.05 83.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 107.954 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.97 -41.89 17.47 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.568 1.167 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.803 HG21 ' HB3' ' A' ' 49' ' ' MET . 83.2 t -63.18 -59.1 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 0.736 . . . . 0.0 109.256 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 20.0 tt0 -53.87 -35.06 61.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.535 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 34.5 ttp85 -65.57 -39.56 91.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.366 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.601 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -75.99 -20.94 57.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.722 ' CE2' HD13 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -77.44 -53.56 7.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.836 ' HA ' HG11 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -69.62 -12.7 61.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 107.983 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -85.77 -8.83 57.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 110.226 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.763 HD21 HG21 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -82.5 144.08 48.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.356 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.453 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.4 Cg_endo -75.03 113.17 3.73 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.0 -13.73 5.75 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.836 HG11 ' HA ' ' A' ' 60' ' ' TRP . 20.3 t -78.88 110.68 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.474 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 3.9 t80 -78.87 -51.91 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.971 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -140.23 146.81 39.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.46 156.14 42.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 110.435 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.05 158.19 32.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.607 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -125.92 134.88 51.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -153.47 -164.92 13.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.422 1.076 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -137.3 160.23 39.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 0.779 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.0 t -169.36 172.21 7.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.358 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.68 -19.24 55.51 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.24 -178.93 49.71 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.412 ' O ' ' CD1' ' A' ' 76' ' ' TYR . 13.8 t80 -112.53 -19.1 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.401 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 21.6 m -74.99 117.84 65.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.415 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 150.22 37.53 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.451 1.764 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.428 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 27.9 m-20 42.67 64.0 6.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.452 ' HB2' ' CG2' ' A' ' 85' ' ' VAL . 18.4 Cg_endo -74.92 151.93 40.53 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.526 1.803 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.6 m -111.41 153.33 26.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.449 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -52.62 -39.66 61.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -69.05 -39.68 79.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.321 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -72.75 -44.73 61.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.452 ' CG2' ' HB2' ' A' ' 80' ' ' PRO . 50.6 t -61.77 -38.33 80.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.5 t -69.44 -25.85 64.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.592 1.182 . . . . 0.0 110.028 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.67 -33.97 71.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.954 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.46 14.5 61.67 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.633 ' C ' HG11 ' A' ' 9' ' ' VAL . 11.5 m-20 -99.03 16.25 23.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 0.756 . . . . 0.0 109.361 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.3 p -112.67 -25.0 9.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 110.331 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.69 16.83 68.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.401 ' NE2' ' O ' ' A' ' 77' ' ' THR . 28.6 m-70 -84.51 166.11 17.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 0.739 . . . . 0.0 109.591 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -125.61 167.71 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -85.37 124.69 32.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 110.355 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.81 164.27 32.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.607 HG12 ' HA ' ' A' ' 70' ' ' ALA . 1.7 m -144.42 146.22 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.654 ' HD3' HG23 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -101.35 136.74 40.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.722 HD13 ' CE2' ' A' ' 59' ' ' PHE . 4.7 mp -130.83 134.34 61.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.654 HG23 ' HD3' ' A' ' 97' ' ' ARG . 59.1 t -120.51 100.08 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -123.14 179.97 4.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.39 132.68 22.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.1 Cg_endo -75.04 -0.46 10.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.778 . . . . 0.0 111.028 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.15 -23.75 16.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.2 t -103.63 -37.93 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.635 HD13 ' N ' ' A' ' 106' ' ' SER . 0.2 OUTLIER -138.29 131.7 41.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.635 ' N ' HD13 ' A' ' 105' ' ' ILE . 3.9 p -92.98 154.28 18.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.021 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.482 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 10.4 p90 -62.89 -31.66 72.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.482 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 1.5 tt0 -59.1 -48.01 83.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.239 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.414 ' HB2' HD11 ' A' ' 105' ' ' ILE . 50.9 mt-30 -58.92 -41.25 86.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.249 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.541 ' HG ' HD12 ' A' ' 105' ' ' ILE . 46.5 mt -59.19 -46.95 87.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 87.8 mt -58.23 -40.43 81.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -41.86 84.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.15 . . . . 0.0 110.24 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.763 HG21 HD21 ' A' ' 62' ' ' LEU . 2.2 t -65.3 -53.35 41.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.605 ' CE2' ' SD ' ' A' ' 49' ' ' MET . 1.5 m-85 -56.15 -38.12 70.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.496 ' CH2' ' HB2' ' A' ' 156' ' ' PHE . 3.3 m95 -59.88 -29.54 68.39 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -86.79 -35.45 19.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.547 ' ND2' ' CD2' ' A' ' 58' ' ' LEU . 18.7 t-20 -87.43 5.79 37.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -69.42 155.98 39.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.637 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -105.05 158.48 31.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 160.18 40.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.518 1.799 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.679 ' HB2' HG22 ' A' ' 169' ' ' ILE . . . -84.65 130.07 34.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.357 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -106.23 -25.92 11.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.24 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 124' ' ' MET . . . 94.29 30.21 8.91 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 123' ' ' GLY . 11.2 ttp -36.91 116.81 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 0.79 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.02 130.98 2.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -126.39 177.86 6.2 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -83.38 -35.99 15.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -104.23 -64.5 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -157.4 163.22 38.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.436 ' H ' ' CD2' ' A' ' 130' ' ' HIS . 0.3 OUTLIER -121.36 161.27 22.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.556 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -75.28 92.9 0.87 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 133' ' ' GLN . 31.1 m -84.76 -3.64 58.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.408 0.711 . . . . 0.0 110.333 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 132' ' ' THR . 1.3 mt-30 -38.12 -48.36 1.23 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 110.343 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -120.97 125.12 46.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -149.0 169.52 20.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.4 p -100.78 88.39 3.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.033 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -121.64 150.66 41.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.748 HG22 ' HD3' ' A' ' 140' ' ' PRO . 54.9 mt -113.94 132.64 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.503 ' CD2' HG22 ' A' ' 46' ' ' ILE . 84.6 m-85 -123.31 77.47 53.25 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.748 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.1 Cg_endo -75.1 169.8 21.79 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.433 1.754 . . . . 0.0 110.947 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.568 HD22 ' CB ' ' A' ' 176' ' ' ALA . 0.7 OUTLIER -112.54 -56.46 2.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 67.3 p -63.94 159.97 50.62 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.7 3.61 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.552 1.817 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.66 -47.63 68.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.418 ' HG3' ' CD1' ' A' ' 107' ' ' TYR . 34.6 tt0 -57.73 -38.33 75.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.252 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -45.81 91.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -72.2 -41.32 67.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -56.59 -52.65 64.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.9 -54.68 41.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.227 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.95 -44.72 82.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.1 -39.84 69.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.6 p -78.0 -34.14 50.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.771 HD23 ' C ' ' A' ' 153' ' ' LEU . 2.3 tt -64.74 -53.14 51.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.62 -20.0 62.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.6 -47.96 7.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.496 ' HB2' ' CH2' ' A' ' 115' ' ' TRP . 13.1 t80 -50.32 -55.81 13.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.463 ' O ' ' CG ' ' A' ' 160' ' ' MET . 12.1 pt20 -59.33 -36.24 75.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.42 -32.1 68.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.16 77.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 7.6 ptm -68.02 -32.76 73.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.483 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.0 OUTLIER -60.96 -41.98 97.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.94 -22.01 66.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.443 ' HB3' ' OD1' ' A' ' 165' ' ' ASP . . . -84.14 -0.48 52.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 109.357 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.9 OUTLIER 77.44 33.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 165' ' ' ASP . . . . . 0.443 ' OD1' ' HB3' ' A' ' 163' ' ' ALA . 43.3 m-20 -106.28 127.1 52.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -99.12 -3.29 34.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -81.83 80.87 8.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -80.1 143.25 34.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.627 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.679 HG22 ' HB2' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -80.26 131.38 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 4.1 t -77.65 54.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.533 HG23 ' CD1' ' A' ' 153' ' ' LEU . 14.9 t -91.69 124.88 36.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.446 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -121.46 139.5 53.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 19.5 mt -118.35 129.44 74.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.85 168.94 19.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -44.69 166.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 109.346 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.638 ' HB1' HD12 ' A' ' 46' ' ' ILE . . . -89.33 85.51 6.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 20.7 p -59.94 161.77 11.41 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.408 1.067 . . . . 0.0 110.36 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 108.67 2.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 97' ' ' ARG . 4.1 p90 -83.36 145.25 29.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.63 118.75 37.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.416 ' CG ' HG21 ' A' ' 24' ' ' VAL . 56.9 m-85 -44.78 143.03 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -98.62 173.45 6.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -44.88 126.53 5.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -49.06 -24.83 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -45.83 75.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -72.59 -45.09 60.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.413 1.07 . . . . 0.0 109.591 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 0.448 ' C ' ' HG2' ' A' ' 188' ' ' GLN . 0.4 OUTLIER -47.95 122.09 4.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.264 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.748 ' OE1' ' HB3' ' A' ' 29' ' ' ALA . 4.0 pt20 40.47 57.86 2.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 110.308 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 189' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -85.07 -34.32 22.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.724 HD11 ' HA3' ' A' ' 196' ' ' GLY . 6.7 tp -66.2 -23.71 66.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.689 ' NE2' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -56.95 -34.41 68.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.613 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -67.96 -41.4 82.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.14 103.13 18.48 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.369 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -5.08 16.35 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.452 1.764 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -94.92 21.25 7.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 196' ' ' GLY . . . . . 0.724 ' HA3' HD11 ' A' ' 190' ' ' LEU . . . -99.37 57.12 0.88 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -50.05 157.93 0.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 110.915 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 29.2 t -118.43 -59.63 1.86 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 108.296 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 148.97 82.57 0.04 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 9.1 pt -139.25 61.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 0.779 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 87.62 -41.71 3.09 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -86.34 76.89 2.08 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 6.0 tp -44.56 149.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.773 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -170.99 52.06 0.19 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.433 1.083 . . . . 0.0 111.054 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 54.0 t -97.02 -59.7 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.398 0.705 . . . . 0.0 109.263 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.24 80.15 8.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.961 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 50.8 mt -89.46 149.63 42.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 155.71 42.4 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 151.1 39.45 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 0.0 110.989 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -49.6 127.62 16.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.244 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.417 ' H1 ' ' HA ' ' A' ' 150' ' ' ARG . 21.8 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 1.012 HD22 ' N ' ' A' ' 3' ' ' PHE . 0.1 OUTLIER -78.62 129.49 34.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 1.012 ' N ' HD22 ' A' ' 2' ' ' LEU . 34.2 p90 -104.19 83.03 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.535 ' HB2' HD21 ' A' ' 2' ' ' LEU . 1.3 m-20 -159.46 152.42 21.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -142.68 123.39 14.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -108.04 167.76 9.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -119.96 127.46 52.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.583 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mp -102.78 177.44 4.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.419 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 11.0 p -58.13 145.72 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.71 169.89 15.83 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 110.032 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -32.93 4.98 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.775 . . . . 0.0 111.083 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.73 -30.28 66.78 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.58 -33.94 18.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.57 174.24 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.08 . . . . 0.0 109.304 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pp -100.02 155.36 36.52 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.406 1.067 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 106.24 2.24 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.446 1.761 . . . . 0.0 111.05 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.425 ' CA ' HG23 ' A' ' 77' ' ' THR . . . -47.37 175.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 0.0 110.97 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -122.38 166.44 14.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -93.02 35.02 1.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.591 1.182 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 20' ' ' THR . 6.3 t -115.08 99.43 52.3 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 137.2 21.44 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.505 1.792 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.9 tpp -71.09 123.11 88.8 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.439 1.087 . . . . 0.0 111.038 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 126.17 9.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.64 HG21 ' HB3' ' A' ' 181' ' ' TYR . 3.8 t -128.07 133.7 66.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.08 152.24 0.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.768 HG22 HD13 ' A' ' 27' ' ' LEU . 1.3 m -83.14 -40.62 19.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.438 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.768 HD13 HG22 ' A' ' 26' ' ' THR . 0.1 OUTLIER -106.79 134.46 49.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.575 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 13.5 t-80 -46.95 149.26 0.91 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.493 1.12 . . . . 0.0 109.573 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.668 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -80.65 -25.91 38.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.07 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 1.09 HG11 ' CE2' ' A' ' 60' ' ' TRP . 80.6 t -95.56 -67.63 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -53.71 -40.57 66.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 73.11 32.1 60.89 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.439 1.087 . . . . 0.0 111.071 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.53 170.82 15.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.776 . . . . 0.0 109.638 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 m -39.52 135.25 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.32 -56.39 2.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 111.097 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.2 p -70.14 -53.95 15.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.432 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -55.73 124.89 18.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.348 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.583 HG21 HD11 ' A' ' 44' ' ' ILE . 4.8 t -119.5 127.85 26.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 146.35 32.86 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.529 1.805 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.53 134.16 53.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.56 -14.53 32.57 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.54 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -104.48 164.53 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 110.99 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -141.74 161.63 37.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.74 ' CG1' HG22 ' A' ' 99' ' ' VAL . 3.2 mt -110.49 155.54 11.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -149.98 130.07 13.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.63 HG22 ' CD2' ' A' ' 139' ' ' TYR . 15.7 mt -95.9 142.7 13.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.397 1.061 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -152.96 143.35 22.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.052 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.14 130.34 51.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.709 ' CB ' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -137.6 -172.85 3.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 111.063 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -67.87 -78.53 0.28 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.525 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -93.03 82.04 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.687 ' CZ ' ' CD1' ' A' ' 53' ' ' TRP . 8.5 p90 -53.06 -19.82 3.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.687 ' CD1' ' CZ ' ' A' ' 52' ' ' PHE . 4.2 m0 -65.01 -48.54 73.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 108.032 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.673 ' HA2' HD23 ' A' ' 190' ' ' LEU . . . -73.93 -42.47 37.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.709 HG21 ' CB ' ' A' ' 49' ' ' MET . 21.9 t -57.65 -61.84 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.81 -37.15 29.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.181 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.456 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 4.0 ttp-105 -73.59 -41.19 63.18 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.578 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -68.45 -34.61 76.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.576 ' CD1' HG12 ' A' ' 98' ' ' ILE . 0.7 OUTLIER -60.24 -63.63 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.942 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 1.09 ' CE2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -56.75 -53.01 62.7 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.551 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 6.2 mm100 -48.75 -22.39 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.888 HD11 HG21 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -73.79 138.76 76.77 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.497 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.02 109.53 2.95 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.515 1.797 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 134.69 -19.01 4.03 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.527 1.142 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.0 t -90.86 125.95 43.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 0.768 . . . . 0.0 109.312 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.54 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -75.2 -57.19 4.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m -158.26 165.22 35.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.402 HG22 ' HA ' ' A' ' 98' ' ' ILE . 37.1 p -133.65 163.2 29.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.473 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.917 ' HB1' ' CE1' ' A' ' 181' ' ' TYR . . . -142.67 121.64 12.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.878 ' HB3' ' OE1' ' A' ' 187' ' ' GLN . . . -88.73 129.0 35.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.492 ' N ' ' NH2' ' A' ' 97' ' ' ARG . . . -150.33 -166.6 13.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.963 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.559 ' CE1' HG11 ' A' ' 85' ' ' VAL . 98.9 m-85 -127.37 154.24 45.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 0.782 . . . . 0.0 111.045 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.6 t -161.16 158.03 26.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.0 -15.18 59.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.454 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -86.75 171.3 43.01 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 11.2 m-85 -113.78 -22.13 10.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 0.749 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.425 HG23 ' CA ' ' A' ' 17' ' ' GLY . 2.9 m -77.83 125.27 85.85 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.6 Cg_endo -74.9 161.81 38.38 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.535 1.808 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.413 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 4.9 m120 40.3 64.24 4.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.458 ' HB2' ' CG2' ' A' ' 85' ' ' VAL . 18.4 Cg_endo -74.92 148.52 35.79 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.578 1.83 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 85' ' ' VAL . 39.3 m -107.96 163.21 13.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.457 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -62.02 -46.58 88.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -40.89 67.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -62.89 -45.14 93.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.252 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 81' ' ' THR . 47.3 t -64.45 -40.67 89.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.33 -25.73 36.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.989 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -37.08 81.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.462 ' CA ' ' OE1' ' A' ' 133' ' ' GLN . . . 81.04 14.74 78.77 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.412 1.07 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -89.19 -12.65 40.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 0.78 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 67.5 p -89.6 -25.6 21.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.362 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.84 17.17 70.86 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.454 ' CG ' ' HA3' ' A' ' 75' ' ' GLY . 60.6 m-70 -80.71 142.6 33.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 109.599 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.52 163.77 14.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.94 113.28 20.43 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.84 162.55 29.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.685 HG23 HD11 ' A' ' 98' ' ' ILE . 27.0 m -140.67 164.94 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.865 ' C ' HD12 ' A' ' 98' ' ' ILE . 0.7 OUTLIER -113.25 142.83 45.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.865 HD12 ' C ' ' A' ' 97' ' ' ARG . 3.3 mp -131.29 115.23 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.74 HG22 ' CG1' ' A' ' 44' ' ' ILE . 93.0 t -113.04 99.76 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.644 ' HD2' HG22 ' A' ' 98' ' ' ILE . 51.2 p90 -128.05 176.87 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.24 135.87 19.27 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -2.99 13.26 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.436 1.756 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.85 -21.49 15.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.041 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 80.1 t -97.69 -49.85 11.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.527 HG23 ' CD1' ' A' ' 100' ' ' TYR . 2.0 tt -123.77 149.68 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.0 p -106.37 152.85 23.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.96 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 32.2 p90 -60.14 -31.37 70.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.457 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -61.22 -39.89 91.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.283 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -66.7 -46.67 74.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.638 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 25.4 mt -55.95 -49.58 73.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.22 -44.77 96.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -56.84 -50.86 71.15 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.888 HG21 HD11 ' A' ' 62' ' ' LEU . 1.8 t -60.03 -50.57 79.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.424 ' O ' ' N ' ' A' ' 118' ' ' HIS . 4.4 t80 -54.49 -50.0 68.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 1.076 . . . . 0.0 110.966 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.493 ' HB3' ' CE1' ' A' ' 156' ' ' PHE . 71.4 m95 -65.29 -21.68 66.75 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -85.57 -26.96 25.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 113' ' ' VAL . 8.9 t-20 -104.23 4.34 33.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.585 1.178 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -72.47 169.29 16.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.606 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.46 147.77 38.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 157.29 42.64 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -85.77 125.66 33.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.255 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -138.83 51.94 1.8 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 124' ' ' MET . . . 76.72 29.92 56.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.093 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 123' ' ' GLY . 0.0 OUTLIER -37.39 -51.32 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 111.054 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.1 128.78 36.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.54 169.22 14.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.598 1.186 . . . . 0.0 110.238 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -40.4 -73.64 0.18 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -102.49 90.5 3.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.463 ' HB2' ' CG2' ' A' ' 132' ' ' THR . 1.1 p30 -84.91 166.86 16.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -160.54 -41.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.605 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -85.39 44.1 3.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.463 ' CG2' ' HB2' ' A' ' 129' ' ' ASP . 22.7 p -84.35 -2.68 57.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.462 ' OE1' ' CA ' ' A' ' 88' ' ' GLY . 25.2 mm100 -40.29 -55.88 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 110.269 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.519 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 35.4 p90 -85.97 128.07 34.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -146.01 168.03 21.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.248 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.6 m -111.0 131.94 54.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.032 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -163.4 150.8 12.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.231 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.429 HG22 ' HD3' ' A' ' 140' ' ' PRO . 8.0 mt -110.74 131.15 62.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.63 ' CD2' HG22 ' A' ' 46' ' ' ILE . 91.2 m-85 -126.63 79.13 71.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.429 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.2 Cg_endo -74.98 169.89 21.62 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.504 1.792 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.487 ' HA ' HD13 ' A' ' 141' ' ' LEU . 1.1 mm? -118.59 -45.54 2.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 67.7 p -81.15 160.93 64.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.444 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -34.55 3.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.535 1.808 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.05 -42.94 83.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -58.8 -45.7 89.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -45.21 87.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.36 -41.3 96.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.387 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -67.57 -42.82 81.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.89 -58.0 9.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.417 ' HA ' ' H1 ' ' A' ' 1' ' ' SER . 14.2 ptt180 -59.41 -31.95 69.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.228 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.406 ' N ' ' HG3' ' A' ' 150' ' ' ARG . . . -62.38 -43.83 97.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 91.9 p -69.53 -49.06 57.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 4.7 tt -53.81 -53.05 57.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -55.67 -30.97 61.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -81.07 -35.93 31.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.282 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 115' ' ' TRP . 0.3 OUTLIER -75.48 -46.89 29.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.974 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.77 -35.08 77.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.4 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -70.08 -45.98 65.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.81 -45.36 94.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -59.45 -46.9 87.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -31.9 72.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.14 -18.66 63.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.45 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -80.33 -4.88 55.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.609 1.193 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 5.7 t70 77.68 21.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.406 1.066 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.2 136.47 40.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.65 12.29 28.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.18 81.93 5.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 110.25 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -72.86 144.3 47.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.639 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.1 mp -67.57 142.08 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 9.5 t -87.92 41.93 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 110.434 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.444 HG21 ' CH2' ' A' ' 115' ' ' TRP . 8.6 m -94.07 124.84 38.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 110.38 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -122.17 140.01 53.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.234 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 23.2 mt -111.72 121.18 63.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.247 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -149.34 164.61 34.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -42.15 162.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.408 ' HB1' HD12 ' A' ' 46' ' ' ILE . . . -85.43 83.43 7.94 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -60.61 163.14 9.71 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.61 1.194 . . . . 0.0 110.412 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 131.42 14.2 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.778 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.656 ' CD2' ' NE ' ' A' ' 97' ' ' ARG . 17.9 p90 -100.2 144.9 28.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -104.75 106.22 16.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.917 ' CE1' ' HB1' ' A' ' 69' ' ' ALA . 0.6 OUTLIER -38.16 143.76 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 111.031 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.466 ' O ' ' CG2' ' A' ' 24' ' ' VAL . . . -103.35 174.04 6.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -46.3 143.98 2.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 13.0 p30 -64.31 -22.81 67.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -64.97 -38.68 91.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -69.02 -40.12 78.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.589 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 0.878 ' OE1' ' HB3' ' A' ' 70' ' ' ALA . 2.6 mp0 -49.01 116.37 1.64 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.759 ' HG2' HG23 ' A' ' 30' ' ' VAL . 10.2 mp0 46.34 54.53 8.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.27 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.418 ' CD1' ' C ' ' A' ' 189' ' ' TYR . 6.4 t80 -85.34 -31.19 23.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 111.049 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.673 HD23 ' HA2' ' A' ' 54' ' ' GLY . 8.2 tp -76.22 -39.92 53.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.544 ' CG ' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -56.46 -30.66 63.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.631 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -65.8 -38.17 88.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.572 ' HB2' ' CE2' ' A' ' 195' ' ' TYR . 6.7 p-10 -138.35 101.15 8.34 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 0.42 8.89 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.464 1.771 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 195' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 193' ' ' ASN . 24.9 p90 -98.48 15.94 23.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -112.63 44.08 1.58 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.398 1.061 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -65.95 130.99 45.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 0.749 . . . . 0.0 110.987 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 2.5 p -136.61 140.78 43.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 108.281 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 64.23 -85.25 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.043 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 2.0 pt -61.45 97.82 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 109.333 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -110.57 54.63 0.53 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -121.61 153.39 16.72 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 8.8 tt -68.78 -16.3 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 46.1 -115.08 1.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.537 1.148 . . . . 0.0 110.937 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 24.7 t -116.34 -42.59 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 2.6 t -58.79 162.07 4.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.941 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 45.8 mt -95.42 151.18 38.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.08 152.43 40.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.449 1.763 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 167.66 26.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.75 170.23 12.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 0.0 109.236 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.27 -59.88 2.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -158.83 172.29 18.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -147.82 101.88 3.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.4 60.48 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.29 99.84 9.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -138.41 15.64 2.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.597 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.493 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -94.94 173.28 7.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.673 HG11 ' C ' ' A' ' 89' ' ' ASP . 11.0 p -54.85 148.62 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.392 1.057 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -77.36 157.0 81.04 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 110.068 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -26.82 10.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.35 -23.77 54.2 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.159 . . . . 0.0 109.37 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.0 -39.38 13.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.95 89.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.1 158.09 65.69 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 111.45 3.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.483 1.78 . . . . 0.0 111.008 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.95 -117.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.406 1.066 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.39 166.43 21.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -109.2 34.47 3.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.0 m -109.11 100.42 40.44 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.407 1.067 . . . . 0.0 110.484 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.435 ' HA ' ' ND2' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -75.0 138.34 22.9 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.513 1.797 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.04 145.18 73.21 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 131.63 14.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.481 HG21 ' HB3' ' A' ' 181' ' ' TYR . 42.4 t -121.52 128.21 75.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.79 150.27 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.522 HG22 HD13 ' A' ' 27' ' ' LEU . 22.3 m -77.36 -44.42 29.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.445 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.522 HD13 HG22 ' A' ' 26' ' ' THR . 0.2 OUTLIER -106.01 134.2 49.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.569 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 15.2 t-80 -48.95 155.16 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 109.63 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.429 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -84.3 -27.79 27.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 1.057 HG11 ' CD2' ' A' ' 60' ' ' TRP . 43.1 t -91.21 -68.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -54.5 -39.98 68.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.17 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.25 23.33 76.09 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -132.78 170.92 14.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 0.725 . . . . 0.0 109.587 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -39.14 138.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.067 . . . . 0.0 110.007 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.65 -65.02 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.7 p -63.55 -51.74 64.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -54.92 129.22 36.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.773 HG21 HD11 ' A' ' 44' ' ' ILE . 2.5 t -126.16 115.59 23.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 147.13 33.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.413 1.743 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.11 131.01 36.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.4 -4.45 31.28 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.477 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -111.7 150.36 30.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 0.767 . . . . 0.0 111.045 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 0.8 OUTLIER -127.73 165.33 20.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.773 HD11 HG21 ' A' ' 38' ' ' VAL . 3.2 mt -121.69 155.58 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -149.66 145.28 26.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.397 1.061 . . . . 0.0 109.299 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 93.5 mt -118.97 128.43 75.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.246 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -137.92 151.49 48.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.525 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -130.46 121.19 25.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.606 ' CB ' HG21 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -137.39 155.21 49.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 111.031 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.56 -75.45 0.15 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.817 ' HB2' HD12 ' A' ' 200' ' ' ILE . 4.1 p -76.59 59.4 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.491 ' CD1' ' N ' ' A' ' 53' ' ' TRP . 9.0 p90 -50.81 -37.37 42.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.796 ' CH2' ' CD1' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -61.94 -51.01 69.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 108.046 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.568 ' HA3' HD11 ' A' ' 200' ' ' ILE . . . -70.99 -31.6 66.73 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.031 ' HA ' HD23 ' A' ' 58' ' ' LEU . 73.2 t -65.14 -54.0 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 0.8 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -40.72 51.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.495 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 1.4 ttt180 -68.36 -36.72 79.62 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.396 1.06 . . . . 0.0 110.37 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.031 HD23 ' HA ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -71.78 -33.63 68.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.542 ' CG ' HG12 ' A' ' 98' ' ' ILE . 1.0 OUTLIER -60.01 -63.61 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 110.973 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 1.057 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -56.58 -49.79 73.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 108.026 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.612 ' OE1' ' CZ2' ' A' ' 60' ' ' TRP . 11.4 mm100 -51.52 -20.34 1.86 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.587 1.179 . . . . 0.0 110.228 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.594 HD11 HG21 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -76.99 140.35 66.54 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.498 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.04 111.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.91 -17.18 4.65 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.415 1.072 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 60' ' ' TRP . 27.2 t -89.52 121.11 39.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.477 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 1.1 t80 -78.1 -56.2 4.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.0 m -148.23 165.65 30.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.49 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 82.7 p -144.65 167.3 22.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.433 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.458 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -155.71 130.07 8.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.587 ' HA ' HG22 ' A' ' 96' ' ' VAL . . . -91.41 132.65 36.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' ALA . . . -158.23 -161.43 10.99 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.524 ' N ' ' CD1' ' A' ' 72' ' ' TYR . 0.6 OUTLIER -146.0 160.69 41.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 0.739 . . . . 0.0 110.978 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.491 ' OG1' ' CG2' ' A' ' 177' ' ' THR . 6.0 t -166.44 170.9 12.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.355 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.11 -18.89 56.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.576 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -79.69 -169.67 38.9 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -115.06 -31.39 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 0.728 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.404 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 4.2 m -74.56 124.47 89.78 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.567 1.167 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.87 147.5 34.64 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.08 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.435 ' ND2' ' HA ' ' A' ' 21' ' ' PRO . 13.5 t-20 49.7 65.23 7.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.45 ' HB2' ' CG2' ' A' ' 85' ' ' VAL . 18.3 Cg_endo -74.95 158.48 42.38 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.429 1.752 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.69 ' O ' HG23 ' A' ' 85' ' ' VAL . 20.5 m -116.43 158.34 23.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.438 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -65.44 -29.6 70.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -51.48 55.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 14.3 pt-20 -73.57 -44.5 57.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 81' ' ' THR . 52.3 t -55.52 -38.68 50.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.174 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.1 t -56.2 -34.06 65.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.66 -39.43 84.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.015 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.07 15.14 63.23 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.673 ' C ' HG11 ' A' ' 9' ' ' VAL . 3.9 p30 -95.06 19.31 10.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 0.816 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.6 p -115.14 -12.77 11.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.341 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.79 6.2 58.94 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.576 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 26.4 m-70 -79.77 154.5 28.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.784 . . . . 0.0 109.6 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -121.38 163.36 18.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.525 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 3.1 mm-40 -82.05 112.13 18.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 71' ' ' GLY . . . -131.5 153.31 49.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.363 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 70' ' ' ALA . 71.8 t -137.61 141.52 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.564 ' HB2' ' CE1' ' A' ' 179' ' ' PHE . 27.3 ttp180 -92.31 136.83 32.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 110.234 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.542 HG12 ' CG ' ' A' ' 59' ' ' PHE . 3.3 mp -128.17 121.79 56.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.657 HG22 HG12 ' A' ' 44' ' ' ILE . 48.9 t -109.14 101.13 12.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.554 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 8.1 p90 -125.75 170.32 11.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -104.21 134.82 19.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.05 -1.27 11.02 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.18 -13.66 23.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.979 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.9 t -114.03 -48.49 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.536 HG23 ' CD1' ' A' ' 100' ' ' TYR . 4.9 tp -123.24 142.15 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.589 1.181 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.2 p -109.19 157.74 18.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.033 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.565 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 4.8 p90 -61.38 -30.69 70.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.565 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.6 tt0 -66.67 -33.53 75.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -75.29 -45.39 40.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.554 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 46.7 mt -56.84 -41.57 78.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.547 ' HB3' ' CZ2' ' A' ' 115' ' ' TRP . 18.3 mt -68.63 -44.87 73.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -53.74 -45.61 70.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.594 HG21 HD11 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -70.32 -39.2 76.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.41 ' HA ' ' HE1' ' A' ' 49' ' ' MET . 12.4 t80 -56.74 -37.79 71.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.547 ' CZ2' ' HB3' ' A' ' 111' ' ' LEU . 5.8 m0 -71.58 -17.73 62.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -84.12 -35.35 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 0.0 110.249 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.651 HD22 HD22 ' A' ' 58' ' ' LEU . 4.0 t-20 -91.06 -21.35 21.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.083 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.6 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 13.1 t-80 -65.43 146.57 54.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.619 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.6 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 3.5 m-20 -107.48 152.22 41.26 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 173.03 15.22 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.748 ' HB2' HG13 ' A' ' 169' ' ' ILE . . . -81.35 119.96 24.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.413 1.071 . . . . 0.0 109.3 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.94 50.68 1.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 44.76 86.0 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 5.2 ttp -103.91 -57.19 2.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 0.716 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -73.95 128.47 35.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -135.57 178.75 6.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.255 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -97.71 50.11 1.41 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.45 1.094 . . . . 0.0 111.047 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -152.73 -58.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.76 132.82 48.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -122.55 104.57 9.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.567 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.629 ' O ' ' CE2' ' A' ' 134' ' ' TYR . . . 157.92 54.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.55 1.156 . . . . 0.0 111.057 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.537 ' HA ' ' CE1' ' A' ' 134' ' ' TYR . 18.2 p -74.43 0.93 13.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.601 0.824 . . . . 0.0 110.38 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 132' ' ' THR . 0.9 OUTLIER -36.98 -32.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.629 ' CE2' ' O ' ' A' ' 131' ' ' GLY . 0.3 OUTLIER -87.09 39.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 132' ' ' THR . 0.4 OUTLIER -75.21 150.95 38.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.5 p -102.23 121.91 43.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.97 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.457 ' H ' ' HB3' ' A' ' 48' ' ' ALA . . . -151.07 162.13 41.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.498 HG22 ' HD3' ' A' ' 140' ' ' PRO . 44.7 mt -120.88 132.84 69.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.083 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -126.46 81.23 68.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.498 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.2 Cg_endo -74.97 168.17 25.44 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.792 . . . . 0.0 110.964 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.9 mp -116.14 -37.99 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 64.3 p -90.15 159.15 42.9 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.401 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -36.15 2.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -64.24 -37.74 88.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -71.48 -32.22 68.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -47.12 70.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -59.19 -40.86 87.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.3 -43.15 67.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.02 -58.98 6.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -59.16 -31.09 68.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -63.42 -35.6 80.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.521 ' OG ' ' CZ2' ' A' ' 115' ' ' TRP . 1.4 m -65.22 -42.52 93.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.52 HD23 ' C ' ' A' ' 153' ' ' LEU . 8.0 tt -61.62 -42.45 98.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -62.42 -45.57 92.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.358 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -70.45 -31.95 69.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.78 -41.28 92.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.447 ' O ' ' CG ' ' A' ' 160' ' ' MET . 17.7 tt0 -65.59 -45.03 84.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.319 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.08 -31.72 68.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.251 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.4 -48.77 76.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.48 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 3.1 ptt? -68.11 -32.95 73.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.48 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.0 OUTLIER -60.93 -43.42 98.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.59 -22.15 66.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 1.073 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -80.89 -6.1 58.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.4 OUTLIER 75.4 29.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -116.0 108.66 16.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.166 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -87.56 47.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' ARG . . . . . 0.478 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 0.1 OUTLIER -119.58 93.82 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.364 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.63 145.78 53.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.601 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.748 HG13 ' HB2' ' A' ' 121' ' ' ALA . 2.9 mp -82.31 149.91 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 20.0 m -91.16 43.13 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.474 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.4 m -91.31 124.77 35.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.574 1.172 . . . . 0.0 110.397 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.67 145.81 49.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 6.1 mt -119.49 127.02 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -142.64 165.2 28.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -48.97 162.22 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.42 1.075 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -87.41 82.07 7.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' THR . . . . . 0.491 ' CG2' ' OG1' ' A' ' 73' ' ' THR . 0.5 OUTLIER -71.62 161.62 77.55 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.444 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 98.71 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.573 1.828 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 0.4 OUTLIER -77.51 145.31 37.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -89.8 126.45 35.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.481 ' HB3' HG21 ' A' ' 24' ' ' VAL . 32.3 m-85 -48.07 170.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -118.17 174.73 6.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -50.82 141.53 13.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -59.99 -28.8 68.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -35.73 81.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.241 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -79.33 -35.03 41.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -50.1 112.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.449 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 7.2 mp0 45.54 56.73 5.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.796 ' CD1' ' CH2' ' A' ' 53' ' ' TRP . 13.1 t80 -85.46 -32.31 22.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.045 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.487 ' CD1' ' HA2' ' A' ' 54' ' ' GLY . 0.4 OUTLIER -73.73 -34.69 64.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -31.27 63.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.652 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -66.32 -27.18 67.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -136.97 97.87 10.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 2.39 6.69 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.777 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -87.58 22.12 2.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.958 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 196' ' ' GLY . . . . . 0.446 ' HA3' HD21 ' A' ' 190' ' ' LEU . . . -119.6 131.74 9.13 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.443 1.089 . . . . 0.0 111.07 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -89.83 160.43 16.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 0.765 . . . . 0.0 110.962 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 200' ' ' ILE . 20.7 t -57.38 -18.79 19.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 108.322 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -68.6 59.01 0.48 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.817 HD12 ' HB2' ' A' ' 51' ' ' CYS . 1.8 mt -87.64 114.12 25.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.557 0.798 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -164.56 -44.43 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -37.89 110.91 0.13 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.464 HG23 ' N ' ' A' ' 204' ' ' GLY . 0.7 OUTLIER -64.37 -52.45 55.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.474 0.75 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 204' ' ' GLY . . . . . 0.464 ' N ' HG23 ' A' ' 203' ' ' ILE . . . 70.21 173.74 13.13 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.541 1.151 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 18.2 m -50.05 128.32 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 109.364 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 30.2 p -103.95 145.49 30.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 208' ' ' PRO . 16.3 mt -95.11 140.63 22.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 208' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 209' ' ' PRO . 18.3 Cg_endo -75.08 142.62 27.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.484 1.781 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 209' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 208' ' ' PRO . 18.5 Cg_endo -74.97 179.38 6.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.445 1.76 . . . . 0.0 111.048 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -43.75 134.39 4.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -79.57 159.92 26.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -137.95 171.52 14.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -145.72 171.25 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 162.81 26.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -107.41 81.55 1.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -130.16 37.56 3.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.629 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.575 HD12 ' H ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -146.15 -154.18 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.575 ' H ' HD12 ' A' ' 8' ' ' LEU . 2.8 p -61.25 154.5 4.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.3 m -68.15 156.37 90.04 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.019 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -17.0 19.92 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.502 1.791 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.99 -24.12 61.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.08 -39.81 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.98 98.29 7.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -100.26 160.32 27.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 99.08 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.463 1.77 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.62 -91.83 0.02 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -135.75 155.55 50.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 0.742 . . . . 0.0 110.23 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -101.38 30.2 4.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.448 ' O ' ' CB ' ' A' ' 79' ' ' ASN . 20.1 p -122.62 145.42 44.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 110.431 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.444 ' HA ' ' OD1' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -74.99 150.23 37.88 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.0 mtp -70.56 150.67 95.55 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 124.8 8.89 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.443 1.759 . . . . 0.0 111.054 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.693 HG21 ' HB3' ' A' ' 181' ' ' TYR . 49.8 t -137.46 140.01 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.38 150.46 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.771 HG22 HD13 ' A' ' 27' ' ' LEU . 2.3 m -77.45 -42.81 34.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.771 HD13 HG22 ' A' ' 26' ' ' THR . 0.1 OUTLIER -107.93 131.81 54.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.561 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 15.4 t-80 -50.71 155.93 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 109.609 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.452 ' HB3' ' CB ' ' A' ' 188' ' ' GLN . . . -84.9 -27.39 26.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 1.043 HG11 ' CD2' ' A' ' 60' ' ' TRP . 51.9 t -91.8 -67.4 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 11.6 t30 -55.83 -40.34 72.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.2 20.04 70.7 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.568 1.168 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -134.15 170.26 15.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 0.738 . . . . 0.0 109.592 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' HIS . 11.4 m -39.38 145.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.18 -38.86 9.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 t -90.73 20.34 4.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 110.384 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -93.94 127.35 39.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.625 HG22 HG11 ' A' ' 99' ' ' VAL . 17.4 t -137.58 99.78 9.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 134.92 18.31 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.65 125.1 2.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.29 1.01 31.31 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.443 1.089 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.449 ' HE2' ' OD1' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -104.09 165.64 10.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 0.747 . . . . 0.0 110.979 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.62 152.61 42.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.919 ' O ' HD12 ' A' ' 141' ' ' LEU . 3.2 mt -104.95 148.98 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.652 ' HB1' ' HE1' ' A' ' 47' ' ' PHE . . . -138.11 131.92 31.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.889 HG21 ' CE2' ' A' ' 179' ' ' PHE . 97.1 mt -120.52 135.19 61.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.652 ' HE1' ' HB1' ' A' ' 45' ' ' ALA . 78.5 m-85 -146.38 165.33 29.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 136' ' ' SER . . . -139.41 133.04 30.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 109.227 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.654 ' HB2' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -149.42 -172.25 4.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' PHE . . . -69.96 -80.97 0.25 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 1.214 ' SG ' ' SG ' ' A' ' 198' ' ' CYS . 0.1 OUTLIER -62.08 82.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.842 ' CZ ' ' HB1' ' A' ' 70' ' ' ALA . 73.7 t80 -61.34 -28.15 69.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.475 ' HB3' HD23 ' A' ' 190' ' ' LEU . 8.3 m0 -82.39 -40.43 21.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 107.982 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.48 ' HA3' HD11 ' A' ' 200' ' ' ILE . . . -75.23 -28.37 62.19 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.491 1.12 . . . . 0.0 110.965 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 51' ' ' CYS . 42.9 t -66.31 -60.36 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 0.785 . . . . 0.0 109.279 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 59' ' ' PHE . 12.5 pt-20 -49.24 -38.76 27.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.536 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 7.6 mmp_? -70.46 -38.47 74.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 110.307 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.638 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -65.87 -20.12 66.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.582 ' O ' HG21 ' A' ' 65' ' ' VAL . 2.1 m-85 -81.94 -53.73 5.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 1.043 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -70.19 -50.98 34.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 108.006 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.593 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 5.9 mm100 -50.34 -20.79 1.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.635 HD23 HG23 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -81.09 139.81 49.4 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.4 Cg_endo -74.93 108.6 2.75 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.469 1.773 . . . . 0.0 111.072 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.496 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 139.07 -21.83 2.96 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.635 HG23 HD23 ' A' ' 62' ' ' LEU . 41.4 t -85.99 123.07 39.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.404 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 9.1 t80 -81.18 -55.28 4.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 m -147.23 165.81 28.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.704 HG22 HG23 ' A' ' 98' ' ' ILE . 26.5 p -147.97 160.82 42.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.404 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.553 ' HB3' ' CG ' ' A' ' 97' ' ' ARG . . . -148.8 142.65 25.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.842 ' HB1' ' CZ ' ' A' ' 52' ' ' PHE . . . -102.16 127.43 49.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 95' ' ' ALA . . . -141.81 -170.77 12.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.145 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.609 ' CE1' HG11 ' A' ' 85' ' ' VAL . 93.0 m-85 -124.96 153.76 42.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.581 HG21 ' CZ ' ' A' ' 179' ' ' PHE . 8.8 t -153.19 162.07 41.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.449 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.61 -11.84 54.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 111.043 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.566 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -80.72 169.47 52.27 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -114.76 -18.92 11.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.483 ' CG2' ' HB3' ' A' ' 80' ' ' PRO . 94.8 m -77.92 131.03 71.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.358 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.4 Cg_endo -75.02 119.33 5.6 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.508 1.794 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.448 ' CB ' ' O ' ' A' ' 20' ' ' THR . 45.0 m-80 40.01 65.68 3.66 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.564 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.97 177.34 8.71 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.556 1.819 . . . . 0.0 111.06 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.45 ' OG1' ' CB ' ' A' ' 84' ' ' GLU . 71.8 p -95.39 152.73 18.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.356 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -54.16 -45.42 72.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.159 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -35.29 79.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.482 ' HG2' ' CG2' ' A' ' 90' ' ' THR . 38.6 tt0 -72.36 -34.02 67.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.434 1.084 . . . . 0.0 110.278 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.609 HG11 ' CE1' ' A' ' 72' ' ' TYR . 3.2 t -70.09 -40.01 77.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.3 p -63.96 -27.44 69.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 53.7 m -62.47 -36.26 81.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.36 15.76 61.65 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -91.89 -0.26 57.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.482 ' CG2' ' HG2' ' A' ' 84' ' ' GLU . 12.4 p -108.26 -25.32 11.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.38 25.04 69.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.566 ' CG ' ' HA3' ' A' ' 75' ' ' GLY . 29.7 m-70 -83.09 145.8 29.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 0.774 . . . . 0.0 109.648 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -116.6 159.17 22.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.58 ' CG ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -76.76 111.04 11.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 110.253 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 71' ' ' GLY . . . -142.77 151.13 40.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.709 ' CG1' ' CE1' ' A' ' 52' ' ' PHE . 10.4 m -142.38 149.2 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.553 ' CG ' ' HB3' ' A' ' 69' ' ' ALA . 0.5 OUTLIER -103.8 144.85 30.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.704 HG23 HG22 ' A' ' 68' ' ' THR . 4.5 mp -134.15 134.13 55.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.826 HG22 ' CG1' ' A' ' 44' ' ' ILE . 88.2 t -113.46 102.49 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.346 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -120.47 179.54 4.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.449 ' OD1' ' HE2' ' A' ' 42' ' ' MET . 0.5 OUTLIER -105.82 131.27 21.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -3.14 13.49 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.519 1.799 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 t -95.21 -26.87 15.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.496 HG11 ' HA2' ' A' ' 64' ' ' GLY . 84.4 t -85.65 -49.14 15.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.576 ' CD1' HD21 ' A' ' 62' ' ' LEU . 14.8 tt -131.64 155.61 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 92.9 p -101.09 152.06 21.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.04 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.605 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 25.3 p90 -56.73 -37.37 70.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.657 ' HA ' HD12 ' A' ' 111' ' ' LEU . 20.4 pt-20 -61.82 -39.45 91.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -59.58 -47.03 87.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.249 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 18.6 mt -59.74 -39.84 86.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.657 HD12 ' HA ' ' A' ' 108' ' ' GLU . 4.5 mt -69.86 -29.43 66.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.235 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.544 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 2.9 tt0 -58.1 -50.87 71.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.447 HG22 ' OD1' ' A' ' 117' ' ' ASN . 0.6 OUTLIER -73.03 -34.39 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.774 ' CE2' HD11 ' A' ' 138' ' ' ILE . 87.0 t80 -54.13 -38.06 65.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.178 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.544 ' CE3' ' HA ' ' A' ' 112' ' ' GLN . 3.9 m0 -74.72 -25.96 59.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 108.05 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -80.88 -36.05 31.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.463 ' HB2' ' CE ' ' A' ' 49' ' ' MET . 34.2 m120 -93.59 5.34 51.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.444 ' CG ' ' N ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -72.65 171.75 11.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.603 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.444 ' N ' ' CG ' ' A' ' 118' ' ' HIS . 0.9 OUTLIER -114.8 146.27 35.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 156.5 42.7 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.811 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 167' ' ' ARG . . . -87.02 134.3 33.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.26 35.77 4.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.244 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.13 26.81 61.18 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.3 107.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 111.006 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -133.31 169.76 16.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.26 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.9 pm0 -94.06 145.95 24.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 129.9 -109.76 0.98 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.68 76.82 8.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 0.811 . . . . 0.0 109.272 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -159.54 169.29 24.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.43 71.46 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.551 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -139.69 29.72 2.45 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 40.2 p -83.74 -40.7 18.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 110.42 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -46.66 -47.67 20.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.258 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.425 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 25.7 p90 -117.97 127.72 54.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -144.35 128.35 17.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.085 . . . . 0.0 110.273 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 14.6 m -64.81 107.79 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -142.85 144.72 32.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.393 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.774 HD11 ' CE2' ' A' ' 114' ' ' PHE . 50.2 mt -110.07 132.95 56.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -126.92 80.84 70.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.528 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.4 Cg_endo -75.03 167.37 27.16 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.456 1.766 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.919 HD12 ' O ' ' A' ' 44' ' ' ILE . 7.1 mt -108.64 -56.7 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.4 p -76.68 163.99 62.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.411 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -35.55 3.05 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.546 1.814 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.89 -36.41 74.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.372 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.422 ' HG2' ' CB ' ' A' ' 107' ' ' TYR . 45.9 mt-30 -72.98 -43.98 61.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.72 -43.06 72.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.98 -50.21 43.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 109.332 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -55.97 -48.02 76.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.84 -58.46 7.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.367 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -56.05 -39.04 71.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.3 -45.5 80.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.515 ' CB ' ' CZ2' ' A' ' 115' ' ' TRP . 7.8 p -69.01 -42.15 76.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 0.0 109.957 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 153' ' ' LEU . 3.5 tt -58.68 -52.45 65.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.214 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.13 -29.89 70.65 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -75.93 -53.93 7.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.25 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -54.55 -46.37 73.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -59.39 -46.93 87.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 110.221 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.07 81.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.22 -43.6 95.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.515 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 9.8 ttp -62.58 -37.93 88.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -39.61 94.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.52 -20.26 64.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 160' ' ' MET . . . -77.15 -7.57 56.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.4 t70 81.79 24.87 0.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 109.255 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.05 122.13 45.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -92.24 7.54 42.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' ARG . . . . . 0.427 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 18.2 mtt180 -83.27 75.66 9.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.647 ' CE1' ' O ' ' A' ' 169' ' ' ILE . 6.8 t60 -61.72 140.44 58.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.565 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.655 HG22 HG23 ' A' ' 171' ' ' THR . 1.0 OUTLIER -79.29 142.47 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 1.5 t -92.81 56.24 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.655 HG23 HG22 ' A' ' 169' ' ' ILE . 5.4 p -90.41 124.72 35.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.409 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -121.68 133.46 54.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.36 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 21.6 mt -109.4 121.85 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -137.07 168.29 19.88 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -54.05 163.18 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -93.0 67.0 4.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' THR . . . . . 0.582 HG22 ' CE1' ' A' ' 179' ' ' PHE . 0.5 OUTLIER -59.6 163.95 6.2 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.404 1.065 . . . . 0.0 110.364 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 178' ' ' PRO . . . . . 0.404 ' HD2' ' OG1' ' A' ' 177' ' ' THR . 18.0 Cg_endo -75.0 105.68 2.13 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.44 1.758 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.889 ' CE2' HG21 ' A' ' 46' ' ' ILE . 10.7 m-30 -85.28 147.37 26.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.082 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 180' ' ' TYR . . . . . 0.409 ' O ' ' O ' ' A' ' 181' ' ' TYR . 59.8 m-85 -88.68 119.22 28.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.693 ' HB3' HG21 ' A' ' 24' ' ' VAL . 18.2 m-85 -46.51 174.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -118.55 173.99 6.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.474 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 0.4 OUTLIER -42.55 132.55 3.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -55.39 -23.15 23.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.83 -44.01 82.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.339 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 186' ' ' HIS . . . . . 0.474 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 75.7 m-70 -68.48 -37.43 80.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.598 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 0.624 ' OE1' ' HB3' ' A' ' 70' ' ' ALA . 14.6 mm100 -49.47 108.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.349 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.452 ' CB ' ' HB3' ' A' ' 29' ' ' ALA . 4.8 mp0 59.49 44.96 14.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.554 ' C ' ' CD1' ' A' ' 189' ' ' TYR . 0.6 OUTLIER -85.14 -24.43 27.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.659 HD21 ' O ' ' A' ' 196' ' ' GLY . 0.4 OUTLIER -74.58 -46.56 37.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.433 ' N ' ' HD2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -65.21 -29.03 69.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.574 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.87 -29.59 70.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.3 OUTLIER -139.05 108.72 7.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -3.64 14.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.415 1.745 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -97.47 23.63 7.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 111.056 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 196' ' ' GLY . . . . . 0.659 ' O ' HD21 ' A' ' 190' ' ' LEU . . . -120.94 46.95 1.06 Allowed Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 197' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' A' ' 197' ' ' TYR . 50.9 p90 -82.32 118.5 23.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 111.008 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 1.214 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 5.0 p -87.91 55.09 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 108.272 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 38.31 76.74 0.07 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.48 HD11 ' HA3' ' A' ' 54' ' ' GLY . 86.6 mt -88.27 138.1 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.795 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 109.67 -66.26 0.24 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.567 1.167 . . . . 0.0 110.945 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -172.14 115.95 0.6 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 2.1 pp -57.51 159.4 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 109.352 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -74.11 -90.58 0.16 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 29.4 m -125.5 121.67 60.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 44.2 t -52.43 101.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 66.4 mt -70.1 155.17 93.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 208' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 209' ' ' PRO . 18.3 Cg_endo -74.96 154.61 42.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.51 1.795 . . . . 0.0 111.019 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 209' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 208' ' ' PRO . 18.3 Cg_endo -75.04 -174.64 2.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.512 1.796 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.83 -23.69 52.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 110.289 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.2 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 31.4 tp -63.67 146.26 54.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -153.6 179.95 8.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -84.59 179.6 7.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.09 163.14 12.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.431 ' HZ1' ' CD ' ' A' ' 172' ' ' GLU . 0.0 OUTLIER -91.16 169.59 10.72 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.441 1.088 . . . . 0.0 109.26 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -109.96 142.17 41.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.614 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.83 178.65 6.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.232 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.3 p -54.72 147.39 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.57 172.14 10.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.993 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -31.74 5.93 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.59 1.837 . . . . 0.0 111.014 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.1 -23.73 54.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.28 -37.7 23.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.44 92.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.934 HD13 ' HD2' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -99.7 138.16 20.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.23 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.934 ' HD2' HD13 ' A' ' 15' ' ' LEU . 18.1 Cg_endo -75.04 100.93 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.56 -17.09 64.73 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.463 1.102 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mmt-85 -133.84 126.55 30.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 0.8 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.66 24.26 12.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.81 120.88 31.1 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 110.441 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 135.15 18.57 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.455 1.766 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.75 135.72 63.69 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.587 1.179 . . . . 0.0 110.959 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 127.12 10.44 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.461 1.769 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.6 HG21 ' HB3' ' A' ' 181' ' ' TYR . 91.0 t -116.13 127.52 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -40.66 154.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.626 ' C ' HD13 ' A' ' 27' ' ' LEU . 51.1 m -80.65 -45.16 17.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.572 1.17 . . . . 0.0 110.386 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.626 HD13 ' C ' ' A' ' 26' ' ' THR . 0.1 OUTLIER -112.78 148.77 34.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.57 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 20.6 t-80 -56.29 157.42 4.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.588 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.23 -25.91 27.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.948 HG11 ' CD2' ' A' ' 60' ' ' TRP . 45.8 t -95.11 -67.89 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 66' ' ' TYR . 1.4 t30 -56.31 -38.29 71.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.35 14.83 79.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.488 ' CG ' ' N ' ' A' ' 34' ' ' SER . 22.5 t60 -126.96 163.48 23.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.763 . . . . 0.0 109.573 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.488 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -42.72 131.54 3.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.1 ptm -99.59 -14.19 19.09 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.515 HG23 ' N ' ' A' ' 37' ' ' ASN . 8.9 t -96.36 -53.75 3.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.446 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.515 ' N ' HG23 ' A' ' 36' ' ' THR . 2.8 m-20 -55.02 133.4 48.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 1.04 HG21 HD11 ' A' ' 44' ' ' ILE . 78.8 t -122.85 102.86 37.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 40' ' ' ASP . 18.1 Cg_endo -75.02 139.68 24.5 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.557 1.82 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' PRO . 38.5 m-20 -40.04 125.39 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.574 1.171 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.26 2.82 29.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.626 1.204 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.3 mmt -114.79 151.57 33.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.578 0.81 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 2.5 mm-40 -135.8 150.17 49.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.344 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 1.04 HD11 HG21 ' A' ' 38' ' ' VAL . 3.7 mt -107.77 152.38 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.41 130.57 15.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 109.366 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.547 HG22 ' HD2' ' A' ' 139' ' ' TYR . 7.3 mt -109.39 138.08 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.499 ' CG ' ' CZ ' ' A' ' 114' ' ' PHE . 23.7 m-85 -149.54 165.03 33.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 111.048 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -133.71 127.84 33.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.573 ' HB3' HG21 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -139.28 158.31 44.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 110.943 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.0 -62.32 3.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.03 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.669 ' CB ' HG23 ' A' ' 55' ' ' VAL . 1.2 m -62.51 -179.63 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.566 ' CE1' ' HB1' ' A' ' 70' ' ' ALA . 5.0 t80 -145.51 -68.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.839 ' HE1' ' HD1' ' A' ' 186' ' ' HIS . 36.9 m0 -66.26 -34.73 78.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 107.987 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.598 ' H ' HD11 ' A' ' 200' ' ' ILE . . . -78.06 -27.58 57.95 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.669 HG23 ' CB ' ' A' ' 51' ' ' CYS . 28.9 t -69.27 -62.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -38.84 39.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.486 ' CZ ' ' CD ' ' A' ' 61' ' ' GLN . 34.4 ttt85 -75.88 -24.69 55.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.334 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.3 -22.08 57.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.772 ' CE2' HD11 ' A' ' 98' ' ' ILE . 16.7 m-85 -82.65 -56.62 3.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.948 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -56.36 -55.66 30.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 108.065 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.553 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 3.7 mt-30 -49.22 -22.49 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.329 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.693 HD11 HG21 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -77.11 139.92 65.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.07 110.87 3.2 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.547 1.814 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.45 ' HA2' ' CG1' ' A' ' 104' ' ' VAL . . . 131.91 -17.0 4.96 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 38.0 t -90.45 125.97 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 4.5 t80 -81.19 -57.19 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.0 p -150.63 162.34 40.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.406 HG21 ' HB2' ' A' ' 59' ' ' PHE . 67.1 p -137.28 160.21 39.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.453 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' CE2' ' A' ' 179' ' ' PHE . . . -147.21 128.58 14.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.566 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -92.29 140.24 29.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.576 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -170.96 -157.34 12.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -140.87 153.65 45.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.781 HG23 ' HB3' ' A' ' 95' ' ' ALA . 3.2 p -147.04 174.53 11.46 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.44 1.087 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.31 -10.91 57.52 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.518 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -88.96 164.35 32.44 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -111.24 -20.85 12.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 22.2 m -74.79 127.39 87.15 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.466 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.3 Cg_endo -75.0 162.14 37.62 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.415 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 2.0 m120 40.44 64.64 4.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.538 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -75.05 129.93 12.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.482 ' O ' HG23 ' A' ' 85' ' ' VAL . 85.2 m -103.02 164.72 11.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.419 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -60.53 -39.03 86.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -45.69 61.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.14 -44.97 94.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.35 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 81' ' ' THR . 43.0 t -59.93 -39.84 81.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.2 m -62.18 -24.87 67.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.059 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.6 m -65.33 -38.2 89.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.031 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 82.42 5.63 89.38 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.91 4.21 54.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.75 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.6 p -101.02 -17.22 16.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.394 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.54 9.5 55.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.439 1.087 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.538 ' CD2' ' HB3' ' A' ' 80' ' ' PRO . 28.7 m-70 -73.59 150.04 41.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 0.8 . . . . 0.0 109.624 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -123.29 160.89 25.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.88 111.93 10.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.781 ' HB3' HG23 ' A' ' 73' ' ' THR . . . -143.95 162.07 37.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 109.234 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' A' ' 70' ' ' ALA . 8.1 m -149.91 153.49 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.516 ' CG ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -97.34 139.04 33.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.338 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.772 HD11 ' CE2' ' A' ' 59' ' ' PHE . 3.9 mt -129.32 116.18 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.579 HG22 ' CG1' ' A' ' 44' ' ' ILE . 59.5 t -101.6 102.86 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -125.33 169.29 12.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.401 1.063 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.37 131.2 21.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.246 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.4 Cg_endo -75.04 -0.68 10.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.535 1.808 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.58 -22.71 18.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.999 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.45 ' CG1' ' HA2' ' A' ' 64' ' ' GLY . 57.6 t -97.85 -46.52 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 102' ' ' PRO . 9.0 tt -129.38 157.46 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 82.6 p -107.78 159.82 16.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 0.0 109.974 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.512 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 32.6 p90 -60.15 -33.28 71.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.512 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 8.4 pt-20 -70.61 -31.05 67.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.414 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 30.6 mt-30 -64.6 -44.33 90.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.1 mt -62.67 -49.55 74.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.56 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 5.8 mt -57.09 -35.32 69.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.388 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -52.91 63.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 110.362 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.693 HG21 HD11 ' A' ' 62' ' ' LEU . 1.9 t -66.61 -44.84 89.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.536 ' CZ ' ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -51.09 -52.24 45.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.41 1.069 . . . . 0.0 110.978 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.567 ' CH2' ' HG ' ' A' ' 153' ' ' LEU . 39.0 m95 -66.98 -19.89 65.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 107.999 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -79.89 -37.96 33.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.241 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -93.86 -3.89 51.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -71.76 158.26 36.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.388 1.055 . . . . 0.0 109.593 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.89 143.41 27.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 159.92 40.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.367 1.72 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.464 ' HB3' ' HB3' ' A' ' 167' ' ' ARG . . . -84.82 141.57 30.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -134.2 38.67 3.13 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.54 1.15 . . . . 0.0 110.341 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 75.48 27.9 62.57 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.6 ttt -43.97 98.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 0.807 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -169.11 121.64 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.04 168.43 16.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 110.263 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -81.49 -50.94 4.82 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -91.83 167.37 12.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 0.0 109.337 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -62.64 124.57 21.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.237 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -106.38 -36.01 6.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.637 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 143.06 73.66 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 25.1 p -84.49 -2.51 57.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 0.788 . . . . 0.0 110.405 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -59.43 -36.93 76.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.481 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 34.7 p90 -111.08 125.09 53.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.593 1.183 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 12.5 ptt85 -148.59 172.27 14.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.358 1.036 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.7 m -97.05 117.52 31.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.057 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -146.32 166.53 26.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.486 HG23 ' CE2' ' A' ' 47' ' ' PHE . 5.8 mt -125.08 131.09 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.256 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.547 ' HD2' HG22 ' A' ' 46' ' ' ILE . 44.9 m-85 -127.9 82.95 67.42 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.958 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.882 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.4 Cg_endo -75.04 166.13 29.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.2 8.66 19.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 29.2 p -146.21 161.19 40.18 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -36.74 2.34 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -62.98 -34.25 77.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.339 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -73.2 -36.95 66.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.437 ' OD1' HG22 ' A' ' 173' ' ' ILE . 0.2 OUTLIER -65.65 -44.67 85.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -66.27 -39.19 89.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -68.37 -47.2 68.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 153' ' ' LEU . . . -55.99 -59.44 4.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 109.277 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -58.84 -43.94 90.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -54.37 -44.32 72.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.173 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.1 p -78.39 -32.37 48.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 1.038 HD11 ' CG2' ' A' ' 171' ' ' THR . 2.8 tt -59.77 -53.92 52.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 158' ' ' ALA . 12.7 pt-20 -67.1 -41.75 85.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -55.74 -39.41 71.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -79.27 -55.41 5.1 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.563 1.165 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.535 ' CD ' HG21 ' A' ' 169' ' ' ILE . 67.2 mm-40 -57.27 -37.45 72.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 110.265 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 154' ' ' GLU . . . -59.56 -39.7 84.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.48 98.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 11.8 ttp -65.78 -41.25 92.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.544 1.153 . . . . 0.0 111.045 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -30.14 70.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.51 -19.14 65.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.241 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -88.15 11.31 16.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.343 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.53 37.09 10.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -95.51 109.17 21.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 168' ' ' HIS . 1.9 p-10 -72.99 -6.09 43.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 167' ' ' ARG . . . . . 0.464 ' HB3' ' HB3' ' A' ' 121' ' ' ALA . 0.0 OUTLIER -68.46 68.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 166' ' ' ASP . 1.5 p80 -68.46 120.75 15.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.581 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.535 HG21 ' CD ' ' A' ' 157' ' ' GLN . 0.1 OUTLIER -66.73 142.27 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 62.7 m -108.94 51.68 0.74 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 110.417 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' THR . . . . . 1.038 ' CG2' HD11 ' A' ' 153' ' ' LEU . 3.6 t -91.56 136.34 33.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.093 . . . . 0.0 110.433 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 172' ' ' GLU . . . . . 0.431 ' CD ' ' HZ1' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -120.33 139.34 52.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.583 HD11 HD12 ' A' ' 153' ' ' LEU . 10.6 mt -114.09 122.87 69.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -135.49 161.67 34.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -44.87 162.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.247 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.882 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -73.6 87.07 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.334 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 177' ' ' THR . . . . . 0.43 ' O ' HD13 ' A' ' 46' ' ' ILE . 27.9 p -59.1 164.2 4.89 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 178' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -74.98 112.9 3.67 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.544 1.813 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -76.62 136.82 39.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 180' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 181' ' ' TYR . 0.5 OUTLIER -112.08 106.42 15.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.6 ' HB3' HG21 ' A' ' 24' ' ' VAL . 36.1 m-85 -38.38 158.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.576 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -122.67 175.67 6.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 182' ' ' ALA . 0.0 OUTLIER -37.25 140.01 0.21 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -60.37 -24.65 65.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.56 -42.02 95.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 186' ' ' HIS . . . . . 0.839 ' HD1' ' HE1' ' A' ' 53' ' ' TRP . 79.5 m-70 -63.14 -43.46 98.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 0.0 109.597 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -47.85 108.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.568 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 11.6 mp0 53.32 58.45 5.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.238 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.409 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 8.7 t80 -86.28 -27.94 24.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.679 HD11 ' O ' ' A' ' 196' ' ' GLY . 0.1 OUTLIER -76.49 -47.05 24.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.401 1.063 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.806 ' ND1' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -58.9 -28.73 66.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.673 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -32.11 73.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.9 OUTLIER -138.98 109.3 7.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.223 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 0.53 8.83 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.593 1.838 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -97.65 27.11 4.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 196' ' ' GLY . . . . . 0.679 ' O ' HD11 ' A' ' 190' ' ' LEU . . . -129.12 84.19 0.32 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.468 1.105 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 197' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 198' ' ' CYS . 1.4 m-85 -53.81 160.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.795 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.53 ' O ' HD12 ' A' ' 200' ' ' ILE . 13.3 t -40.69 -45.64 2.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 108.249 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -43.73 93.39 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.452 1.095 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.598 HD11 ' H ' ' A' ' 54' ' ' GLY . 4.1 mt -104.73 110.31 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -59.32 -108.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 164.5 -135.27 3.67 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.7 pp -119.61 173.15 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -76.75 -104.48 0.15 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.442 1.089 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 28.0 m -119.06 124.56 73.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 109.269 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 11.6 t -122.43 93.49 3.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 32.2 mt -84.27 136.51 40.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 170.9 19.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.474 1.776 . . . . 0.0 111.037 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 175.91 10.63 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.527 1.804 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -149.12 -61.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 110.289 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.48 ' HA ' HD13 ' A' ' 2' ' ' LEU . 0.5 OUTLIER -74.47 114.66 13.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -79.36 51.17 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -152.44 87.6 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.369 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -109.84 169.17 8.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -66.33 95.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -148.78 150.22 32.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.512 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.423 HD12 ' HA2' ' A' ' 91' ' ' GLY . 2.5 mm? -114.9 -172.29 2.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.1 p -63.2 144.94 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.61 165.16 48.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.951 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -37.58 2.0 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.781 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.97 -23.17 55.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.8 -37.44 20.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.17 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.83 164.65 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 109.316 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.8 mt -100.01 152.41 37.81 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 103.13 1.68 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.448 1.762 . . . . 0.0 111.023 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.468 ' CA ' HG23 ' A' ' 77' ' ' THR . . . -51.77 -174.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -120.79 168.92 10.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 110.252 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -104.19 36.27 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.4 p -124.97 99.47 34.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.394 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 139.26 24.07 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.597 1.84 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.4 mtp -71.1 146.97 93.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 137.92 22.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.529 1.805 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.754 HG21 ' HB3' ' A' ' 181' ' ' TYR . 70.1 t -128.82 139.18 52.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.06 152.63 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.353 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.888 ' C ' HD13 ' A' ' 27' ' ' LEU . 17.5 m -79.04 -44.5 22.07 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.474 1.109 . . . . 0.0 110.379 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.888 HD13 ' C ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -111.2 142.12 43.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.567 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 16.3 t-80 -50.52 156.44 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.642 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 188' ' ' GLN . . . -85.05 -25.76 27.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.963 HG11 ' CD2' ' A' ' 60' ' ' TRP . 56.0 t -95.26 -67.06 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -56.27 -38.0 70.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.96 17.03 75.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.488 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.0 t-80 -132.06 163.36 28.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 0.774 . . . . 0.0 109.601 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.488 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 19.0 t -46.7 131.71 11.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.18 -29.15 13.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.957 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 t -75.81 -34.7 60.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.068 . . . . 0.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -64.29 130.64 44.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.576 ' CG2' HD11 ' A' ' 44' ' ' ILE . 77.8 t -116.9 104.56 50.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 40' ' ' ASP . 18.4 Cg_endo -75.01 133.43 16.57 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.546 1.814 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -39.99 122.64 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.41 ' O ' ' OD1' ' A' ' 101' ' ' ASP . . . 104.56 -5.68 44.35 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.469 1.106 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.5 ' HE2' ' OD1' ' A' ' 101' ' ' ASP . 31.2 tpp -97.2 140.54 31.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 0.731 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -126.64 154.85 43.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.723 HG12 HG22 ' A' ' 99' ' ' VAL . 3.2 mt -114.96 147.85 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.84 129.88 33.07 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.478 HG23 ' CE1' ' A' ' 179' ' ' PHE . 21.1 mt -103.09 125.94 57.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.597 ' HE1' HG23 ' A' ' 138' ' ' ILE . 34.2 m-85 -141.35 164.12 31.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.959 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -143.94 126.94 16.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.768 ' HB2' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -136.23 -172.53 3.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 111.02 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' PHE . . . -61.68 -100.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.508 ' O ' HG23 ' A' ' 55' ' ' VAL . 76.9 m -65.57 78.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' A' ' 53' ' ' TRP . 32.6 p90 -46.09 -42.29 13.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 110.982 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.64 ' N ' ' CD1' ' A' ' 52' ' ' PHE . 1.7 m0 -54.9 -43.32 73.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 107.985 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.471 ' HA3' ' CA ' ' A' ' 199' ' ' GLY . . . -72.88 -42.46 45.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.787 HG12 ' CE2' ' A' ' 59' ' ' PHE . 47.1 t -56.98 -48.02 82.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 0.767 . . . . 0.0 109.323 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -41.75 84.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.452 ' NH1' ' OE1' ' A' ' 61' ' ' GLN . 44.7 ttt-85 -68.22 -54.72 15.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -23.11 41.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.787 ' CE2' HG12 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -75.94 -65.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 111.066 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.963 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -57.84 -51.28 70.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 108.024 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.581 ' HG2' ' CZ2' ' A' ' 60' ' ' TRP . 25.9 mt-30 -48.79 -22.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.644 HD23 ' HD2' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -73.22 144.06 84.06 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.644 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.08 116.02 4.45 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.6 -20.99 6.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.626 HG21 ' O ' ' A' ' 59' ' ' PHE . 65.1 t -81.73 116.01 25.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.423 0.72 . . . . 0.0 109.308 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.437 ' N ' ' O ' ' A' ' 99' ' ' VAL . 1.9 t80 -75.12 -49.85 18.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.398 1.061 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.7 m -158.62 164.1 36.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.451 HG22 ' HA ' ' A' ' 98' ' ' ILE . 70.9 p -143.86 157.43 44.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.379 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -135.07 160.03 39.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -122.12 116.4 24.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.361 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -142.46 -163.33 9.63 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.437 1.086 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -125.45 157.57 36.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 0.737 . . . . 0.0 110.961 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.2 t -160.13 160.76 33.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.595 1.184 . . . . 0.0 110.403 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.33 -11.03 73.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.48 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -88.33 168.02 36.32 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -108.98 -23.0 11.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.468 HG23 ' CA ' ' A' ' 17' ' ' GLY . 4.0 m -75.07 123.27 88.79 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 154.73 43.21 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.411 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 6.9 m120 48.77 64.81 8.02 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.56 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 18.5 Cg_endo -74.94 141.3 26.65 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.556 1.819 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.5 m -110.99 162.82 14.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.376 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -55.04 -48.48 73.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.89 -31.24 66.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.431 ' OE1' ' HA ' ' A' ' 80' ' ' PRO . 2.5 tt0 -63.35 -43.03 98.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 56.9 t -68.47 -41.72 83.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 t -54.8 -24.32 22.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.054 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -39.16 78.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.41 10.41 85.37 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -100.03 8.33 44.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.8 p -104.35 -17.46 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.423 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . 68.9 16.82 70.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.034 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.56 ' CD2' ' HB3' ' A' ' 80' ' ' PRO . 40.4 m-70 -82.19 155.45 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.549 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -129.26 153.13 48.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.495 ' OE1' ' CG ' ' A' ' 52' ' ' PHE . 5.0 mm-40 -72.45 123.67 23.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.417 ' CB ' ' CZ ' ' A' ' 179' ' ' PHE . . . -144.07 160.61 40.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.515 HG23 HD11 ' A' ' 98' ' ' ILE . 23.4 m -134.32 147.66 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.812 ' C ' HD12 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -97.49 145.41 26.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.812 HD12 ' C ' ' A' ' 97' ' ' ARG . 3.7 mp -133.32 129.65 56.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.723 HG22 HG12 ' A' ' 44' ' ' ILE . 26.4 t -125.54 106.68 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.185 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.706 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 39.7 p90 -133.62 179.98 5.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.5 ' OD1' ' HE2' ' A' ' 42' ' ' MET . 7.6 m-20 -113.41 135.19 21.84 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.99 0.51 8.81 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.517 1.799 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.3 t -92.12 -16.3 26.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 0.0 109.98 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 72.7 t -115.99 -47.0 4.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.425 1.078 . . . . 0.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.793 HD13 ' N ' ' A' ' 106' ' ' SER . 0.2 OUTLIER -127.49 130.94 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.793 ' N ' HD13 ' A' ' 105' ' ' ILE . 6.6 p -95.75 157.98 15.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.923 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.464 ' CB ' ' HG2' ' A' ' 145' ' ' GLN . 45.9 p90 -66.52 -36.21 82.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.456 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.4 tt0 -55.12 -39.94 69.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.251 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.448 ' HB2' HD11 ' A' ' 105' ' ' ILE . 32.7 mt-30 -72.13 -40.03 68.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 0.0 110.268 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.706 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 31.5 mt -55.85 -43.18 76.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.547 ' O ' ' CD2' ' A' ' 115' ' ' TRP . 12.4 mt -65.56 -33.61 76.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.486 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 16.3 tt0 -58.0 -50.91 71.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.456 1.098 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.88 -33.48 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 118' ' ' HIS . 5.8 t80 -53.66 -48.71 69.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 110.99 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.56 ' CZ2' ' HB2' ' A' ' 152' ' ' SER . 1.2 m0 -66.47 -20.26 66.0 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -80.46 -38.08 30.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.262 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.468 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 4.9 t-20 -92.71 -9.01 42.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 114' ' ' PHE . 83.0 t60 -70.84 162.04 29.92 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.591 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -103.73 136.55 19.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.244 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 159.81 40.72 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.52 ' HB2' ' HA ' ' A' ' 169' ' ' ILE . . . -85.35 126.96 34.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -134.28 40.27 3.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 81.43 29.77 39.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.576 1.173 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.0 104.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -92.73 156.99 16.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -108.92 167.94 9.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 109.9 -94.72 0.82 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.57 1.169 . . . . 0.0 111.05 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.55 164.05 4.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 0.733 . . . . 0.0 109.297 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.32 105.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.393 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.93 65.22 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.587 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 66.78 29.97 75.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 3.3 p -73.54 -24.45 60.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 110.344 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -68.66 -49.6 57.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.361 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.506 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 19.8 p90 -112.83 128.37 56.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -132.12 173.14 11.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.4 m -103.87 122.15 44.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.976 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.459 ' HB2' ' HG2' ' A' ' 172' ' ' GLU . . . -156.19 150.1 25.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.761 HG22 ' HD3' ' A' ' 140' ' ' PRO . 55.9 mt -112.99 130.74 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -130.19 78.23 74.96 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.761 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.1 Cg_endo -75.0 166.71 28.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' A' ' 176' ' ' ALA . 8.2 tp -112.4 -40.15 4.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.434 ' OG1' ' CG ' ' A' ' 145' ' ' GLN . 68.7 p -84.27 162.27 51.98 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -33.75 4.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.498 1.788 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -64.91 -49.78 69.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.464 ' HG2' ' CB ' ' A' ' 107' ' ' TYR . 86.9 mt-30 -54.84 -46.47 74.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.31 -48.38 79.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.57 92.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -67.27 -47.14 71.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.26 -55.2 36.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.242 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -40.61 95.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -57.47 -37.47 72.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.428 1.08 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.56 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 10.2 p -74.52 -41.71 60.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.998 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.736 HD23 ' C ' ' A' ' 153' ' ' LEU . 3.2 tt -63.15 -50.83 68.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.158 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -56.65 -37.34 70.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.362 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 159' ' ' ALA . 0.0 OUTLIER -75.65 -55.16 5.92 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.475 ' CD1' HG21 ' A' ' 169' ' ' ILE . 8.0 t80 -45.7 -46.61 14.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' A' ' 160' ' ' MET . 1.3 tt0 -61.48 -42.49 98.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.27 -31.45 67.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.243 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 155' ' ' ARG . . . -62.99 -48.81 77.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.214 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.508 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 7.6 ptm -68.09 -32.91 73.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.508 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -65.99 -41.08 91.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.06 -23.04 67.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.417 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -83.71 -6.18 59.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 8.0 t0 75.67 34.06 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -101.76 121.64 42.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 109.363 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.08 15.73 8.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -91.09 84.61 5.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.569 ' CE1' ' O ' ' A' ' 169' ' ' ILE . 0.1 OUTLIER -61.6 136.59 58.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.605 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.85 HG13 HG22 ' A' ' 171' ' ' THR . 6.3 pt -69.15 140.79 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.073 . . . . 0.0 109.348 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 8.8 t -96.86 36.2 1.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.402 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.85 HG22 HG13 ' A' ' 169' ' ' ILE . 2.1 t -92.65 128.09 38.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 172' ' ' GLU . . . . . 0.459 ' HG2' ' HB2' ' A' ' 137' ' ' ALA . 10.3 pt-20 -119.1 139.41 51.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 4.9 mt -124.8 127.64 72.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -149.89 171.21 17.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.367 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -43.2 164.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -84.26 87.56 7.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 177' ' ' THR . . . . . 0.483 ' HB ' ' HD2' ' A' ' 178' ' ' PRO . 25.2 p -59.14 165.38 3.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 178' ' ' PRO . . . . . 0.483 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.3 Cg_endo -74.96 118.44 5.27 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.478 ' CE1' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -76.54 145.62 38.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.959 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 180' ' ' TYR . . . . . 0.463 ' O ' ' C ' ' A' ' 181' ' ' TYR . 17.2 m-85 -118.68 91.29 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 111.071 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.754 ' HB3' HG21 ' A' ' 24' ' ' VAL . 14.0 m-85 -32.85 139.67 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -100.01 175.53 5.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -47.31 137.92 7.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.19 -23.43 62.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.3 -41.8 98.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -78.68 -28.15 45.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.64 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 187' ' ' GLN . 12.7 tp60 -55.54 111.93 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.567 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 3.5 mp0 48.03 55.81 8.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.348 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.448 ' CD2' ' CE2' ' A' ' 53' ' ' TRP . 1.9 t80 -85.65 -45.91 11.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 12.8 tp -63.04 -41.27 99.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.485 ' CD2' ' N ' ' A' ' 191' ' ' HIS . 0.7 OUTLIER -57.71 -28.86 64.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 109.691 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.41 -44.3 62.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.08 115.56 7.87 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.181 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.63 8.67 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -90.85 28.74 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.602 1.188 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -99.84 -179.55 30.48 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 197' ' ' TYR . . . . . 0.416 ' O ' ' C ' ' A' ' 198' ' ' CYS . 1.3 m-85 -49.09 160.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.416 ' C ' ' O ' ' A' ' 197' ' ' TYR . 0.7 OUTLIER -40.41 136.82 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 108.243 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 199' ' ' GLY . . . . . 0.471 ' CA ' ' HA3' ' A' ' 54' ' ' GLY . . . -152.4 47.27 0.56 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.428 1.08 . . . . 0.0 111.056 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' A' ' 200' ' ' ILE . 8.0 tp -170.02 -44.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.471 0.747 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 175.35 -133.21 2.36 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 44.01 76.02 0.14 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 2.1 tt -64.12 -23.05 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.25 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 43.7 -101.68 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.437 1.086 . . . . 0.0 111.069 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.46 131.43 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.362 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.47 139.79 30.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.007 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.505 ' N ' HD22 ' A' ' 207' ' ' LEU . 1.5 mm? -69.98 146.43 95.13 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 151.52 39.71 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.465 1.771 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.77 35.75 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.427 1.751 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -54.64 -58.58 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.1 p . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -73.02 157.29 37.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -78.11 89.43 4.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -159.18 124.45 4.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.43 88.7 2.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.39 143.61 33.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.22 74.01 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.613 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mp -123.2 160.72 25.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 109.344 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.2 p -59.63 149.66 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.26 163.38 48.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -34.22 3.94 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.456 1.766 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.21 -24.98 65.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.63 1.206 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.91 -39.99 10.39 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.48 1.112 . . . . 0.0 109.359 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.56 98.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 16' ' ' PRO . 1.4 pp -75.94 153.74 84.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.449 ' O ' HD12 ' A' ' 15' ' ' LEU . 18.2 Cg_endo -75.05 139.2 23.87 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -105.09 -104.13 2.92 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.122 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -90.37 145.3 25.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 110.306 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -109.39 18.08 20.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.3 p -126.89 146.25 56.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.555 1.159 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 152.25 40.43 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.578 1.831 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.737 ' HE1' HG23 ' A' ' 81' ' ' THR . 0.2 OUTLIER -82.33 145.81 52.87 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 125.88 9.52 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 110.952 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.453 HG21 ' CB ' ' A' ' 181' ' ' TYR . 2.9 t -123.75 137.24 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.13 159.9 27.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.75 HG22 HD13 ' A' ' 27' ' ' LEU . 3.0 m -82.89 -45.2 14.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 110.377 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.75 HD13 HG22 ' A' ' 26' ' ' THR . 0.1 OUTLIER -109.47 145.72 35.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.377 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.467 ' CD2' ' H ' ' A' ' 68' ' ' THR . 36.8 t-80 -54.62 164.76 0.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.643 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.531 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -84.92 -33.13 22.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.442 ' HB ' ' CE1' ' A' ' 28' ' ' HIS . 75.3 t -95.12 -63.15 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.162 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -55.84 -39.66 71.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.02 22.85 78.79 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.528 ' CG ' ' N ' ' A' ' 34' ' ' SER . 8.0 t-80 -129.48 166.99 18.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 0.746 . . . . 0.0 109.619 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.528 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -41.88 141.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.434 ' CE ' ' HB2' ' A' ' 69' ' ' ALA . 2.8 mtp -98.08 -64.95 0.99 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.158 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.465 HG23 ' N ' ' A' ' 37' ' ' ASN . 15.2 t -55.25 -51.57 66.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 110.364 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.465 ' N ' HG23 ' A' ' 36' ' ' THR . 0.4 OUTLIER -55.02 131.84 45.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.812 HG22 HG11 ' A' ' 99' ' ' VAL . 3.4 t -125.86 133.01 24.5 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.405 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.1 Cg_endo -75.01 143.92 29.61 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.35 121.96 12.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.18 4.65 29.06 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.562 1.164 . . . . 0.0 111.022 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.597 ' HB3' HG13 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -109.38 165.66 11.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 111.034 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.7 158.51 43.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.737 ' CG1' HG22 ' A' ' 99' ' ' VAL . 2.6 mp -109.86 151.37 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.487 ' HB1' ' CZ ' ' A' ' 47' ' ' PHE . . . -140.52 131.26 25.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.228 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.893 HG21 ' CE2' ' A' ' 179' ' ' PHE . 97.3 mt -113.58 138.77 42.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.487 ' CZ ' ' HB1' ' A' ' 45' ' ' ALA . 49.0 m-85 -150.97 165.07 34.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -142.73 127.46 18.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.575 ' HB2' HG21 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -135.45 -174.53 3.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.404 ' O ' ' OE1' ' A' ' 94' ' ' GLU . . . -64.9 -90.12 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.14 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.889 ' O ' HG23 ' A' ' 55' ' ' VAL . 56.4 m -70.8 76.59 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.49 ' CG ' ' N ' ' A' ' 53' ' ' TRP . 49.7 p90 -51.53 -44.39 62.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.804 ' CH2' ' CD2' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -55.66 -44.82 77.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 107.975 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.487 ' HA3' ' CA ' ' A' ' 199' ' ' GLY . . . -74.67 -27.82 64.38 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 51' ' ' CYS . 62.1 t -75.81 -54.48 13.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.564 0.802 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.537 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 15.7 pt-20 -48.38 -37.76 17.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.246 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.543 ' HA ' ' CE2' ' A' ' 60' ' ' TRP . 0.4 OUTLIER -77.37 -26.56 52.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.78 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -76.7 -32.3 57.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.388 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.522 ' CG ' HG12 ' A' ' 98' ' ' ILE . 2.9 m-85 -66.11 -64.48 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 111.078 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.543 ' CE2' ' HA ' ' A' ' 57' ' ' ARG . 0.7 OUTLIER -56.88 -21.17 27.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.143 . . . . 0.0 108.052 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.51 -21.09 62.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.331 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.891 HD22 HD23 ' A' ' 110' ' ' LEU . 0.5 OUTLIER -71.62 137.13 83.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 109.88 3.01 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.428 1.751 . . . . 0.0 111.047 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.27 -15.02 5.34 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.454 1.097 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.421 HG11 ' CG2' ' A' ' 68' ' ' THR . 47.7 t -78.86 124.54 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 0.8 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.432 ' N ' ' O ' ' A' ' 99' ' ' VAL . 1.3 t80 -74.99 -54.66 6.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.2 m -161.97 152.72 17.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.467 ' H ' ' CD2' ' A' ' 28' ' ' HIS . 24.6 p -136.6 156.07 49.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.584 ' HB3' ' HD3' ' A' ' 97' ' ' ARG . . . -147.05 156.18 42.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.623 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -99.26 138.46 36.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -147.14 -177.88 22.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.416 1.072 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -123.75 153.91 40.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 0.717 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.968 HG21 ' CZ ' ' A' ' 179' ' ' PHE . 3.8 t -160.02 160.17 32.94 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 0.0 110.385 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.85 -22.99 38.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.587 1.179 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.565 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -90.55 177.9 42.46 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -117.05 -18.47 10.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.1 m -73.72 123.08 89.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 110.34 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -74.97 155.44 43.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.556 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 17.9 m-80 39.33 56.91 6.22 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.628 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.5 Cg_endo -74.97 140.31 25.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.791 ' O ' HG23 ' A' ' 85' ' ' VAL . 5.1 m -93.36 151.38 19.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -50.88 -50.9 56.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -44.67 82.72 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 0.0 110.299 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 87' ' ' SER . 35.0 mt-10 -73.06 -25.41 60.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 81' ' ' THR . 42.4 t -72.9 -48.4 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.1 t -60.67 -25.78 66.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.981 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.416 ' HB3' ' O ' ' A' ' 84' ' ' GLU . 40.7 t -54.51 -40.46 68.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.41 16.94 74.86 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.401 1.063 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -98.59 -3.01 37.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.49 -29.8 10.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.82 -14.43 65.31 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.628 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 40.6 m-70 -59.17 148.22 32.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 0.75 . . . . 0.0 109.579 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -124.88 158.13 34.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.404 ' OE1' ' O ' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -70.42 123.09 20.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -146.07 158.6 43.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' A' ' 70' ' ' ALA . 17.0 m -138.49 151.58 24.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.631 ' C ' HD12 ' A' ' 98' ' ' ILE . 6.6 ptm180 -109.74 145.43 36.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.631 HD12 ' C ' ' A' ' 97' ' ' ARG . 4.4 mp -132.17 134.06 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.812 HG11 HG22 ' A' ' 38' ' ' VAL . 58.2 t -121.33 106.74 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.703 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 27.4 p90 -129.03 177.28 7.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.84 134.9 20.51 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.427 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.0 Cg_endo -75.08 1.56 7.64 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.45 -17.72 17.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.979 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.0 t -110.38 -41.96 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.57 HG23 ' CD1' ' A' ' 100' ' ' TYR . 1.0 OUTLIER -133.33 139.92 48.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.401 ' N ' HG13 ' A' ' 105' ' ' ILE . 9.4 p -96.84 159.25 15.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.031 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 20.3 p90 -66.34 -33.29 75.41 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.563 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -60.36 -36.11 77.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 110.247 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -64.84 -44.29 90.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.448 1.093 . . . . 0.0 110.283 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.891 HD23 HD22 ' A' ' 62' ' ' LEU . 23.0 mt -61.39 -45.26 95.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.547 ' O ' ' CD2' ' A' ' 115' ' ' TRP . 3.3 mt -71.88 -33.09 68.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.554 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 44.2 tt0 -59.01 -49.84 76.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.747 HG22 HD21 ' A' ' 117' ' ' ASN . 0.5 OUTLIER -72.76 -34.58 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 118' ' ' HIS . 13.3 t80 -53.97 -47.46 71.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.643 ' CZ2' ' CB ' ' A' ' 152' ' ' SER . 1.0 OUTLIER -66.61 -18.46 65.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 108.013 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -87.95 -28.73 21.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.747 HD21 HG22 ' A' ' 113' ' ' VAL . 61.5 m-80 -105.27 5.38 31.98 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 114' ' ' PHE . 24.4 t60 -84.74 152.98 23.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.54 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -105.11 146.73 33.26 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -172.09 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.456 1.766 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 167' ' ' ARG . . . -81.82 123.77 29.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.81 49.77 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -42.29 148.07 0.53 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -152.45 168.98 23.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.412 0.713 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.27 133.69 48.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.51 ' HB2' ' CE1' ' A' ' 130' ' ' HIS . 0.1 OUTLIER -126.55 167.96 14.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.221 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -110.47 -71.82 0.67 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.541 1.15 . . . . 0.0 111.015 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -86.25 161.03 18.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.597 0.822 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.13 110.41 7.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.51 ' CE1' ' HB2' ' A' ' 126' ' ' GLN . 0.6 OUTLIER -130.2 169.6 15.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.564 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.548 ' O ' ' NE2' ' A' ' 133' ' ' GLN . . . -151.92 122.01 1.27 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.64 ' O ' ' CE1' ' A' ' 134' ' ' TYR . 4.1 p -85.69 -14.29 45.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 0.804 . . . . 0.0 110.426 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.548 ' NE2' ' O ' ' A' ' 131' ' ' GLY . 3.3 mp0 61.46 35.54 17.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.225 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.64 ' CE1' ' O ' ' A' ' 132' ' ' THR . 9.0 m-85 -126.32 56.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.95 108.82 20.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.6 m -59.99 130.81 48.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.498 ' HB3' ' CE1' ' A' ' 139' ' ' TYR . . . -148.45 161.33 41.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.649 HG22 ' HD3' ' A' ' 140' ' ' PRO . 36.8 mt -124.65 127.69 72.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.498 ' CE1' ' HB3' ' A' ' 137' ' ' ALA . 53.1 m-85 -130.57 81.82 66.69 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.649 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.2 Cg_endo -75.01 163.64 34.93 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.558 1.82 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.802 HD22 ' HB3' ' A' ' 176' ' ' ALA . 0.2 OUTLIER -97.28 -54.27 3.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 10.4 p -79.56 163.0 61.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -36.34 2.67 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.508 1.794 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.32 -37.7 75.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -72.4 -38.5 68.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.88 -52.57 59.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -58.79 -43.61 90.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -66.31 -43.25 86.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.04 -58.86 6.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.238 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -61.68 -32.47 72.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -63.07 -47.85 81.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.643 ' CB ' ' CZ2' ' A' ' 115' ' ' TRP . 51.9 p -75.01 -34.09 61.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.832 HD11 HG23 ' A' ' 171' ' ' THR . 5.1 tt -64.49 -50.3 68.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.03 -46.93 86.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -55.11 39.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -53.35 -45.15 69.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -61.24 -40.75 95.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.341 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.48 -46.22 67.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -56.6 -41.74 77.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.403 ' HE2' ' HB3' ' A' ' 160' ' ' MET . 0.7 OUTLIER -62.99 -43.0 100.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.728 HD23 ' NE2' ' A' ' 168' ' ' HIS . 0.2 OUTLIER -66.05 -33.41 75.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 109.38 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.18 -21.91 66.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -78.15 -5.34 51.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 3.3 t0 78.71 21.77 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -91.2 116.16 28.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.05 54.96 3.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' ARG . . . . . 0.419 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 13.5 mtt180 -146.9 87.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.728 ' NE2' HD23 ' A' ' 161' ' ' LEU . 12.7 m170 -72.44 150.36 43.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.617 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.27 142.29 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 86.6 m -87.53 50.46 2.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.832 HG23 HD11 ' A' ' 153' ' ' LEU . 8.0 t -95.3 124.33 39.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.448 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.18 153.65 38.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.528 HD11 HD13 ' A' ' 153' ' ' LEU . 20.0 mt -119.56 129.3 75.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -141.08 167.12 22.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -52.18 163.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.802 ' HB3' HD22 ' A' ' 141' ' ' LEU . . . -89.61 67.75 7.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 177' ' ' THR . . . . . 0.465 HG22 ' CE1' ' A' ' 179' ' ' PHE . 0.5 OUTLIER -59.98 163.29 8.01 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 110.353 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 108.79 2.8 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.504 1.791 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.968 ' CZ ' HG21 ' A' ' 73' ' ' THR . 5.9 m-30 -86.48 146.94 26.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 180' ' ' TYR . . . . . 0.412 ' O ' ' O ' ' A' ' 181' ' ' TYR . 41.5 m-85 -88.73 114.73 25.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.453 ' CB ' HG21 ' A' ' 24' ' ' VAL . 30.8 m-85 -42.71 167.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 1.012 ' HB1' ' NE2' ' A' ' 186' ' ' HIS . . . -112.95 164.62 13.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.57 128.43 35.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 110.229 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -51.9 -21.02 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.86 -39.71 65.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 186' ' ' HIS . . . . . 1.012 ' NE2' ' HB1' ' A' ' 182' ' ' ALA . 11.3 p80 -113.27 -22.87 10.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.63 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 0.476 ' C ' ' CG ' ' A' ' 188' ' ' GLN . 0.0 OUTLIER -64.48 130.52 44.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 110.226 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.476 ' CG ' ' C ' ' A' ' 187' ' ' GLN . 1.1 pt20 43.71 40.16 2.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.804 ' CD2' ' CH2' ' A' ' 53' ' ' TRP . 57.2 t80 -83.35 -24.11 32.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.58 HD11 ' HA3' ' A' ' 196' ' ' GLY . 0.4 OUTLIER -58.01 -37.47 74.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.531 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.1 OUTLIER -56.38 -29.94 62.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.13 -41.15 64.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.751 ' ND2' ' CE2' ' A' ' 189' ' ' TYR . 0.7 OUTLIER -137.97 121.52 11.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 -2.96 13.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 111.05 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -89.98 24.28 2.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 196' ' ' GLY . . . . . 0.58 ' HA3' HD11 ' A' ' 190' ' ' LEU . . . -60.65 -178.24 2.04 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.553 1.158 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 197' ' ' TYR . . . . . 0.469 ' O ' ' C ' ' A' ' 198' ' ' CYS . 3.0 m-85 -48.57 161.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 0.722 . . . . 0.0 111.027 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.469 ' C ' ' O ' ' A' ' 197' ' ' TYR . 0.8 OUTLIER -36.48 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.297 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 199' ' ' GLY . . . . . 0.487 ' CA ' ' HA3' ' A' ' 54' ' ' GLY . . . 105.2 -20.17 38.52 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.502 ' CD1' ' OD1' ' A' ' 117' ' ' ASN . 51.1 mm -119.78 -46.78 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 0.781 . . . . 0.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -44.54 -41.4 6.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 100.88 -111.23 4.1 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 204' ' ' GLY . 1.2 tp -66.31 142.69 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 204' ' ' GLY . . . . . 0.423 ' N ' HG13 ' A' ' 203' ' ' ILE . . . -107.79 -114.58 3.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 19.5 m -109.55 129.33 64.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.585 0.814 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 68.6 m -66.97 169.73 7.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.977 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 10.7 mt -103.35 148.83 36.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 208' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 209' ' ' PRO . 18.4 Cg_endo -74.96 156.22 43.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.459 1.768 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 209' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 208' ' ' PRO . 18.5 Cg_endo -74.95 -178.83 4.43 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.569 1.826 . . . . 0.0 111.05 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 210' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 210' ' ' GLU . 0.0 OUTLIER -152.1 49.19 0.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.1 p . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 mt -79.36 71.92 5.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.129 . . . . 0.0 109.365 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -160.12 107.74 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.0 86.54 0.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.354 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.02 61.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.349 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.45 63.73 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -142.86 72.68 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.598 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.17 155.29 36.42 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.453 1.095 . . . . 0.0 109.251 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.7 p -77.58 149.69 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.214 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.08 164.57 54.12 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.406 ' HB3' ' CD2' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -75.08 -23.67 13.45 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.545 1.813 . . . . 0.0 111.031 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.99 -25.76 60.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -86.82 -38.79 16.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.91 110.4 5.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.496 ' O ' HG23 ' A' ' 77' ' ' THR . 0.3 OUTLIER -99.97 158.75 31.49 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 103.66 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.515 1.797 . . . . 0.0 111.018 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.96 -90.94 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -94.53 147.04 23.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.273 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -87.61 -44.71 11.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.415 1.072 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 55.5 m -87.19 137.28 32.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 110.348 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 20' ' ' THR . 18.4 Cg_endo -74.97 154.87 42.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.512 1.796 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.18 152.86 84.26 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 148.32 34.97 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.502 HG21 ' CG ' ' A' ' 181' ' ' TYR . 21.8 t -134.22 154.18 37.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.62 163.74 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.364 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.5 m -88.94 -31.18 18.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.379 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 pp -149.92 145.62 26.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.458 ' CD2' ' H ' ' A' ' 68' ' ' THR . 12.3 t-80 -40.76 149.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.583 1.177 . . . . 0.0 109.628 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.612 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -84.78 -33.55 22.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.662 HG21 ' CE2' ' A' ' 60' ' ' TRP . 48.9 t -83.68 -69.8 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -51.45 -39.81 58.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.11 33.74 39.68 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -148.61 165.44 31.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.756 . . . . 0.0 109.642 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.1 m -55.76 132.58 49.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.087 . . . . 0.0 109.943 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.729 ' SD ' ' HB2' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -98.24 -4.52 35.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.435 HG22 ' OH ' ' A' ' 181' ' ' TYR . 57.5 p -92.2 -42.97 9.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -56.26 131.19 47.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.371 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.488 HG21 HD11 ' A' ' 44' ' ' ILE . 54.9 t -118.81 99.49 51.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 137.23 21.54 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.034 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.74 123.98 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.16 0.01 44.33 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.455 ' HG3' HG13 ' A' ' 99' ' ' VAL . 40.4 tpp -107.33 143.02 36.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 1.9 pt-20 -132.26 163.2 29.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.82 ' CG1' HG22 ' A' ' 99' ' ' VAL . 3.1 mt -114.17 151.47 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -142.74 131.59 22.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.478 HG22 ' HB2' ' A' ' 139' ' ' TYR . 6.3 mt -109.58 127.85 66.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -141.74 164.72 29.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -155.39 134.11 11.97 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.453 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -150.38 -174.74 4.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 0.0 111.027 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -38.11 -84.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.625 ' HB3' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -59.78 178.69 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.601 ' CZ ' ' HB1' ' A' ' 70' ' ' ALA . 5.5 t80 -150.47 -48.81 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 111.048 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.664 ' HB3' HD23 ' A' ' 190' ' ' LEU . 1.8 m0 -71.16 -46.6 61.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 108.018 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.15 -36.62 92.1 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.756 ' HA ' HD23 ' A' ' 58' ' ' LEU . 99.3 t -60.67 -54.6 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.495 ' O ' ' CE3' ' A' ' 60' ' ' TRP . 29.5 tt0 -49.64 -36.53 24.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.082 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.541 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 5.4 ttp180 -78.54 -46.37 19.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.756 HD23 ' HA ' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -61.83 -26.77 68.32 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.434 1.084 . . . . 0.0 109.253 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.781 ' CE2' HD11 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -70.71 -66.41 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.662 ' CE2' HG21 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -56.59 -20.07 19.16 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 107.997 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.37 -25.3 62.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 110.342 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.773 HD11 HG11 ' A' ' 113' ' ' VAL . 6.1 mt -72.21 141.72 83.92 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.1 Cg_endo -75.01 112.14 3.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.448 1.762 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.75 -13.97 5.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.409 HG13 HG23 ' A' ' 98' ' ' ILE . 61.2 t -83.85 118.02 30.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.435 0.727 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 99' ' ' VAL . 4.1 t80 -75.04 -42.21 57.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.7 p -175.83 157.21 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.013 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.458 ' H ' ' CD2' ' A' ' 28' ' ' HIS . 20.3 p -138.75 169.72 17.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.729 ' HB2' ' SD ' ' A' ' 35' ' ' MET . . . -152.97 150.4 29.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.788 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -95.84 138.36 33.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.463 ' HA2' ' N ' ' A' ' 182' ' ' ALA . . . -163.87 -173.29 32.37 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.634 ' CE2' ' HA ' ' A' ' 182' ' ' ALA . 3.0 m-85 -123.43 163.47 20.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 0.0 110.996 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.449 HG22 ' CB ' ' A' ' 95' ' ' ALA . 9.7 t -167.76 163.23 14.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 110.391 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.33 -20.26 48.98 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.516 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -84.16 178.78 51.91 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.406 ' CD2' ' HB3' ' A' ' 11' ' ' PRO . 23.8 m-85 -115.08 -17.89 11.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 0.735 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 15' ' ' LEU . 87.7 m -74.33 118.69 71.84 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 110.461 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -75.03 144.25 29.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.446 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 26.8 m-20 39.65 62.48 5.34 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.567 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.95 175.29 11.42 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.553 ' O ' HG23 ' A' ' 85' ' ' VAL . 90.0 m -116.83 154.12 31.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -55.55 -43.46 75.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -43.5 64.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.488 ' OE2' HG21 ' A' ' 77' ' ' THR . 21.3 tt0 -60.62 -38.13 83.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 81' ' ' THR . 52.4 t -68.08 -37.93 78.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 109.254 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.1 t -53.37 -36.88 61.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.001 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.52 -39.11 72.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.017 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.05 13.9 68.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.565 1.166 . . . . 0.0 111.012 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -85.65 -11.63 53.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 0.739 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.5 p -92.6 -20.54 20.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.27 9.76 61.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 0.0 110.952 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.567 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 18.9 m-70 -68.95 147.0 52.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 0.0 109.642 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -115.95 150.58 36.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.489 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 22.2 mt-10 -70.68 109.75 5.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.449 ' CB ' HG22 ' A' ' 73' ' ' THR . . . -131.08 160.94 33.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.558 1.161 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.788 HG12 ' HA ' ' A' ' 70' ' ' ALA . 4.4 m -141.7 139.35 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.486 ' NE ' HG21 ' A' ' 44' ' ' ILE . 5.5 mtt180 -89.91 129.14 36.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 110.273 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.781 HD11 ' CE2' ' A' ' 59' ' ' PHE . 3.9 mp -119.25 122.88 70.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.39 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.82 HG22 ' CG1' ' A' ' 44' ' ' ILE . 95.5 t -110.7 102.45 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.662 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 17.7 p90 -130.26 172.23 12.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.56 135.59 19.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.167 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.4 Cg_endo -74.98 0.64 8.65 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.543 1.812 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.02 -24.9 17.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 110.017 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.7 t -100.67 -50.36 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.51 HG23 ' CD1' ' A' ' 100' ' ' TYR . 19.1 tt -117.99 156.27 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 p -115.51 147.5 40.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.067 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 9.8 p90 -56.72 -25.62 54.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.479 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.5 OUTLIER -66.31 -43.16 86.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.357 1.036 . . . . 0.0 110.258 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -64.44 -45.35 87.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.662 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 55.4 mt -59.06 -51.62 69.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 107' ' ' TYR . 3.3 mt -59.03 -41.86 88.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -61.59 -52.6 63.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.773 HG11 HD11 ' A' ' 62' ' ' LEU . 15.7 t -62.75 -41.48 92.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 114' ' ' PHE . 2.0 t80 -62.85 -41.66 99.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.557 ' HB3' ' CE2' ' A' ' 156' ' ' PHE . 38.7 m95 -71.83 -20.32 61.85 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.83 -30.95 22.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.453 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 9.7 t-20 -95.75 -1.32 50.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.436 ' CG ' ' N ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -70.44 171.68 9.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.576 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.436 ' N ' ' CG ' ' A' ' 118' ' ' HIS . 0.3 OUTLIER -108.9 140.9 22.32 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 158.8 41.88 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.504 ' HB2' ' HA ' ' A' ' 169' ' ' ILE . . . -87.65 125.0 34.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.389 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -132.35 57.54 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 75.83 23.89 71.1 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.481 1.113 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 11.1 tpt -48.02 100.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -119.22 170.55 8.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -82.46 123.67 29.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.423 ' HA3' ' CE1' ' A' ' 130' ' ' HIS . . . -125.02 -114.27 2.01 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -128.01 -52.85 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.55 51.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.423 ' CE1' ' HA3' ' A' ' 127' ' ' GLY . 32.2 m170 -78.73 -34.92 45.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 0.0 109.631 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 164.7 41.7 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 34.5 p -77.67 -31.31 52.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 0.76 . . . . 0.0 110.412 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -48.42 -51.03 28.64 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.461 1.101 . . . . 0.0 110.365 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.47 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 27.8 p90 -108.83 126.91 53.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -132.81 172.99 11.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 67.5 p -102.86 95.81 6.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.045 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -132.17 146.15 51.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.827 HG22 ' HD3' ' A' ' 140' ' ' PRO . 69.5 mt -110.78 133.41 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.478 ' HB2' HG22 ' A' ' 46' ' ' ILE . 87.6 m-85 -128.1 76.78 77.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.942 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.953 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.0 Cg_endo -75.01 164.6 33.01 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.9 -52.51 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.3 p -77.41 162.17 69.84 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 110.417 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -40.62 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.88 -32.64 72.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.272 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 149' ' ' ALA . 39.6 tt0 -72.11 -39.38 68.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -51.19 60.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -57.08 -38.34 73.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.421 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -76.25 -35.52 58.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 145' ' ' GLN . . . -62.7 -59.66 4.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -59.08 -28.62 66.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -67.7 -46.52 72.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 59.8 p -61.14 -43.74 98.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.952 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 5.7 tt -56.35 -51.21 69.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -53.41 -47.89 69.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.04 -49.97 75.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.318 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.557 ' CE2' ' HB3' ' A' ' 115' ' ' TRP . 0.3 OUTLIER -63.44 -40.44 97.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -62.08 -47.69 83.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.43 -46.85 65.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -56.31 -44.6 80.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.408 1.067 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.407 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 16.1 ttp -63.3 -43.99 96.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.438 HD23 ' NE2' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -64.25 -31.41 72.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -68.19 -17.62 64.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.455 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -83.31 -4.63 58.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.9 t0 78.51 28.5 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -104.11 115.1 29.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -84.52 6.49 23.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.57 1.169 . . . . 0.0 109.342 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -84.9 80.8 9.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.438 ' NE2' HD23 ' A' ' 161' ' ' LEU . 9.9 m80 -62.79 134.62 56.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.552 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.569 ' H ' HD13 ' A' ' 169' ' ' ILE . 0.2 OUTLIER -71.63 133.98 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 36.2 p -86.18 45.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.454 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 34.9 m -91.62 126.12 36.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.439 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.0 138.22 54.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.42 1.075 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 42.5 mt -108.27 123.75 64.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.211 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -137.98 156.28 48.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -42.48 157.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.953 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -69.56 85.58 0.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.247 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 2.0 p -58.65 163.53 5.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 97.9 1.12 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.568 1.825 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.4 OUTLIER -77.19 133.36 38.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 180' ' ' TYR . . . . . 0.407 ' O ' ' O ' ' A' ' 181' ' ' TYR . 5.5 m-85 -120.39 130.74 54.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.502 ' CG ' HG21 ' A' ' 24' ' ' VAL . 25.0 m-85 -37.64 157.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.634 ' HA ' ' CE2' ' A' ' 72' ' ' TYR . . . -96.67 -62.99 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.35 159.15 28.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.98 -23.26 65.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.19 -34.35 59.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -70.3 -39.64 74.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.639 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.53 99.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.173 . . . . 0.0 110.287 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 29' ' ' ALA . 9.0 mp0 56.03 60.97 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.337 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 189' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -82.36 -29.51 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.664 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -74.18 -29.16 61.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.612 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -64.91 -41.62 95.41 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.545 1.153 . . . . 0.0 109.571 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -63.41 -40.93 98.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.093 . . . . 0.0 109.258 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.478 ' O ' HD13 ' A' ' 190' ' ' LEU . 0.4 OUTLIER -136.0 103.71 9.82 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 -15.21 21.17 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.418 1.746 . . . . 0.0 111.043 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -89.84 -12.44 39.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -81.6 54.36 4.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 197' ' ' TYR . . . . . 0.597 ' CD1' ' O ' ' A' ' 197' ' ' TYR . 24.0 p90 -83.4 133.3 34.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 2.9 p -54.26 -50.84 66.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 108.34 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 152.22 67.53 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 1.2 tt -82.18 146.59 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.453 0.737 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' GLY . . . . . 0.438 ' HA3' HG23 ' A' ' 205' ' ' VAL . . . -92.58 -68.02 1.11 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 100.31 -75.15 0.43 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 18.7 tt -101.54 -41.48 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.457 0.739 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -53.67 -29.0 39.72 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.491 1.12 . . . . 0.0 111.051 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 205' ' ' VAL . . . . . 0.438 HG23 ' HA3' ' A' ' 201' ' ' GLY . 54.2 t -70.31 -60.3 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 0.764 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 61.9 p -119.33 69.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.521 ' C ' ' CD2' ' A' ' 207' ' ' LEU . 0.0 OUTLIER -69.76 158.46 87.04 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 171.45 18.29 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 92.79 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.43 1.753 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -48.91 120.75 4.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.965 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.538 HD23 ' H ' ' A' ' 3' ' ' PHE . 0.3 OUTLIER -80.14 159.94 25.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 0.0 109.258 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.538 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.7 OUTLIER -152.84 130.42 11.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -157.49 133.52 9.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.393 1.058 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HE2' ' CE1' ' A' ' 7' ' ' HIS . 17.3 ptmt -146.04 164.29 32.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.26 168.84 8.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.432 ' CE1' ' HE2' ' A' ' 5' ' ' LYS . 49.9 m-70 -135.77 40.94 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.514 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.41 132.81 55.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 p -51.81 145.64 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 109.246 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.99 166.54 43.92 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.043 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -38.66 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.441 1.759 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.44 -24.4 65.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.78 -38.35 19.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.218 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.35 84.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pp -100.08 156.95 34.71 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 111.18 3.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.543 1.812 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.15 -21.58 41.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.11 . . . . 0.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -140.57 143.13 35.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 110.292 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -109.85 -34.69 6.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.7 t -92.93 119.31 67.86 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 154.78 42.36 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.532 1.806 . . . . 0.0 110.962 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 8.1 mtm -74.24 153.31 88.26 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 159.07 41.48 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.54 1.81 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.4 t -138.88 156.72 28.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.09 164.77 26.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.075 . . . . 0.0 109.254 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.422 ' C ' HD13 ' A' ' 27' ' ' LEU . 75.9 m -90.69 -45.36 8.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -103.99 156.04 18.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 33' ' ' HIS . 42.4 t-80 -71.7 166.34 22.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 109.596 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.701 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -86.21 -37.7 18.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.4 t -92.88 -65.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -54.07 -34.5 60.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.591 1.182 . . . . 0.0 109.278 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.6 24.7 71.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -124.73 169.93 11.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.561 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -39.73 135.73 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -94.65 -51.17 4.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 111.056 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.7 OUTLIER -88.71 -47.26 8.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.386 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -55.12 127.41 28.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.943 HG21 HD11 ' A' ' 44' ' ' ILE . 56.0 t -116.14 123.49 30.83 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.18 26.34 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -52.98 126.98 22.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.1 1.62 31.62 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.454 1.096 . . . . 0.0 111.045 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.475 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 3.3 mtp -115.21 164.67 13.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -139.8 159.2 42.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.226 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.943 HD11 HG21 ' A' ' 38' ' ' VAL . 2.8 mp -109.54 148.58 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.79 131.27 30.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.361 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.428 HG22 ' HB2' ' A' ' 139' ' ' TYR . 6.3 mt -106.04 130.58 57.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -144.57 156.22 44.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -136.95 133.85 36.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.47 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 0.5 OUTLIER -138.37 172.19 13.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.941 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -49.82 -64.21 3.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 1.43 ' SG ' ' SG ' ' A' ' 198' ' ' CYS . 0.1 OUTLIER -75.25 179.56 5.04 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.5 p90 -144.09 -45.08 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 111.046 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.635 ' CH2' ' CE1' ' A' ' 189' ' ' TYR . 14.6 m0 -72.75 -36.89 67.8 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.53 -44.25 13.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.474 1.109 . . . . 0.0 111.061 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.41 HG23 ' HB3' ' A' ' 51' ' ' CYS . 97.4 t -57.3 -59.21 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 0.782 . . . . 0.0 109.352 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 14.9 pt-20 -50.0 -42.5 49.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.539 ' HA ' ' CD2' ' A' ' 60' ' ' TRP . 2.2 tmt_? -70.17 -30.31 67.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -25.83 55.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.369 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.656 ' CE2' HD11 ' A' ' 98' ' ' ILE . 1.0 OUTLIER -72.5 -59.97 2.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.539 ' CD2' ' HA ' ' A' ' 57' ' ' ARG . 0.7 OUTLIER -62.24 -15.81 49.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 0.0 107.969 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.402 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 8.8 mm-40 -83.07 -7.98 59.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.587 HD12 ' HA ' ' A' ' 59' ' ' PHE . 14.8 mt -87.57 137.38 32.21 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 108.19 2.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.444 1.76 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.416 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 133.73 -9.86 4.91 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.513 HG11 ' CG2' ' A' ' 68' ' ' THR . 20.1 t -86.83 121.9 38.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.529 0.782 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.475 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 5.2 t80 -77.95 -39.15 43.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.174 . . . . 0.0 111.065 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -169.71 154.97 5.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.968 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.513 ' CG2' HG11 ' A' ' 65' ' ' VAL . 69.3 p -132.22 171.15 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.404 1.065 . . . . 0.0 110.362 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.863 ' HB1' ' OE1' ' A' ' 187' ' ' GLN . . . -165.22 148.05 8.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -101.53 139.64 36.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -160.84 -162.38 12.52 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -150.01 155.56 40.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 0.727 . . . . 0.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 74' ' ' GLY . 1.0 OUTLIER -171.67 174.0 4.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.373 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.45 ' N ' ' OG1' ' A' ' 73' ' ' THR . . . 98.09 -13.93 62.98 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.439 1.087 . . . . 0.0 111.025 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.546 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -85.18 -173.2 49.68 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -112.82 -21.15 11.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 0.733 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.446 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 39.2 m -74.87 117.57 63.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.357 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 132.06 14.96 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.521 1.8 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.431 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 5.0 m120 54.98 63.74 6.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.241 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.566 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -75.03 172.68 15.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.55 1.816 . . . . 0.0 111.011 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 85' ' ' VAL . 67.2 p -119.88 154.01 35.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 110.388 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -56.26 -34.31 66.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -69.05 -48.64 62.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -67.52 -41.88 83.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 81' ' ' THR . 52.8 t -56.09 -38.04 51.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.228 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.43 ' HA ' ' OE1' ' A' ' 133' ' ' GLN . 18.0 t -70.59 -32.05 69.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 m -66.42 -38.68 88.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.69 12.22 57.11 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.465 1.103 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -84.02 -21.59 31.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 0.0 109.364 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.4 p -81.56 -18.27 45.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.412 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.94 17.36 54.82 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.447 1.092 . . . . 0.0 111.037 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.566 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 38.2 m-70 -86.59 155.72 20.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 0.812 . . . . 0.0 109.625 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -113.07 156.98 22.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -82.1 109.71 16.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -121.06 167.99 12.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 69' ' ' ALA . 76.1 t -140.01 134.69 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -89.95 118.13 29.28 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.656 HD11 ' CE2' ' A' ' 59' ' ' PHE . 4.6 mp -113.9 129.61 69.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.43 1.081 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.681 HG22 ' CG1' ' A' ' 44' ' ' ILE . 91.0 t -119.38 100.29 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.219 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.494 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 23.7 p90 -126.75 177.39 6.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.468 ' CB ' ' HE2' ' A' ' 42' ' ' MET . 0.0 OUTLIER -112.78 135.75 21.6 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.4 Cg_endo -75.07 -0.49 10.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.3 m -93.15 -23.86 18.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.416 HG11 ' HA2' ' A' ' 64' ' ' GLY . 76.9 t -99.27 -48.74 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.453 HG23 ' CD1' ' A' ' 100' ' ' TYR . 16.8 tt -122.41 162.05 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.392 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.6 p -117.71 153.67 32.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.506 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 15.9 p90 -58.22 -28.52 64.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.506 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -67.85 -38.7 83.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.578 1.174 . . . . 0.0 110.271 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -65.04 -44.89 87.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.494 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 36.3 mt -58.67 -51.89 68.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.41 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 9.3 mt -60.3 -47.58 85.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -53.32 -53.51 49.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.362 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.469 HG11 HD11 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -61.93 -44.53 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -55.86 -52.56 63.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.529 ' CZ2' HD11 ' A' ' 138' ' ' ILE . 84.5 m95 -63.07 -16.33 59.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 107.985 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -86.08 -35.99 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.47 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 0.8 OUTLIER -92.94 -0.13 57.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.495 ' CG ' ' N ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -73.53 174.88 7.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 109.619 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.495 ' N ' ' CG ' ' A' ' 118' ' ' HIS . 8.4 m-20 -117.4 144.48 34.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 159.85 40.86 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.514 1.797 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.92 124.98 32.26 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.546 1.154 . . . . 0.0 109.258 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -138.51 48.69 1.93 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.581 1.176 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 82.26 28.36 40.82 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -39.4 101.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.28 171.61 14.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.562 1.164 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -122.82 121.42 36.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -148.78 -76.99 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.458 1.099 . . . . 0.0 111.102 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -60.8 169.75 1.76 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 0.75 . . . . 0.0 109.286 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.2 93.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.243 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.73 169.91 13.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.563 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.521 ' O ' ' CE2' ' A' ' 134' ' ' TYR . . . -119.12 99.41 0.77 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 92.8 m -82.62 -0.5 47.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.398 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' A' ' 86' ' ' SER . 14.8 pt20 -47.71 -25.76 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 23.8 p90 -117.75 133.84 55.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 111.059 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.1 ptp85 -146.2 174.67 11.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.362 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 12.4 m -96.24 117.36 30.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.067 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -151.53 158.99 44.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.833 HG22 ' HD3' ' A' ' 140' ' ' PRO . 77.3 mt -118.59 133.17 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.428 ' HB2' HG22 ' A' ' 46' ' ' ILE . 83.3 m-85 -130.1 75.17 79.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 1.052 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 17.9 Cg_endo -75.03 167.31 27.31 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.479 1.778 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' A' ' 176' ' ' ALA . 0.3 OUTLIER -114.09 -52.77 2.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 58.8 p -71.64 159.0 86.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 110.387 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.44 2.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.421 1.748 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -38.55 91.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -64.78 -42.13 95.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -41.87 98.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.619 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -71.26 -32.3 68.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -74.86 -37.69 62.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.254 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -65.82 -58.77 4.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -60.3 -28.89 68.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.619 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -69.62 -35.64 75.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 78.1 p -74.04 -49.95 21.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.052 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.777 HD23 ' C ' ' A' ' 153' ' ' LEU . 0.4 OUTLIER -59.14 -44.47 92.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 154' ' ' GLU . . . . . 0.606 ' N ' HD23 ' A' ' 153' ' ' LEU . 1.2 tp10 -52.98 -38.64 62.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.386 1.054 . . . . 0.0 110.345 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -83.85 -35.15 24.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.429 ' CE1' ' HB3' ' A' ' 115' ' ' TRP . 2.2 t80 -61.35 -47.17 87.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.969 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 160' ' ' MET . 1.8 pt20 -63.16 -31.73 72.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.357 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.39 -33.08 69.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.45 -49.18 78.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.486 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 5.6 ptm -68.32 -32.77 73.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.486 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -66.04 -43.86 86.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.378 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.52 -23.3 66.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -85.61 -3.83 58.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.8 OUTLIER 77.76 31.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.366 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -91.89 110.68 22.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -87.55 12.46 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -106.27 89.68 3.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.423 ' HA ' ' CE ' ' A' ' 160' ' ' MET . 9.0 p-80 -73.74 145.75 44.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.606 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.11 141.65 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 40.3 p -89.41 41.17 1.02 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.371 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 5.9 t -93.09 133.41 36.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.402 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.64 133.2 54.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.641 HD11 HD13 ' A' ' 153' ' ' LEU . 12.2 mt -105.18 121.31 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -136.21 166.17 24.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 109.348 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -49.75 159.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 1.052 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -74.03 82.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 2.0 p -59.4 163.65 6.21 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.367 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 115.23 4.22 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.406 1.74 . . . . 0.0 111.029 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.3 OUTLIER -78.51 140.46 38.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -119.57 109.61 15.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.405 1.065 . . . . 0.0 110.967 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -41.06 155.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -109.83 173.11 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.48 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 2.0 tp10 -38.66 131.56 1.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.235 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -53.53 -22.49 8.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -44.94 34.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 186' ' ' HIS . . . . . 0.48 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 39.2 m-70 -65.55 -45.14 84.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.634 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 0.863 ' OE1' ' HB1' ' A' ' 69' ' ' ALA . 7.5 mt-30 -53.58 131.9 39.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 187' ' ' GLN . 0.0 OUTLIER 39.23 50.22 1.88 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.482 1.113 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.635 ' CE1' ' CH2' ' A' ' 53' ' ' TRP . 3.3 t80 -83.82 -31.06 26.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 20.7 tp -75.44 -23.39 56.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.701 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -56.26 -30.6 62.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.615 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -71.09 -31.39 67.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.43 ' ND2' ' N ' ' A' ' 193' ' ' ASN . 0.2 OUTLIER -139.35 102.08 7.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -14.27 21.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.564 1.823 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -94.71 26.53 3.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -112.61 51.4 0.7 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.449 1.093 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -63.57 141.46 58.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 0.726 . . . . 0.0 111.013 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 1.43 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 30.2 p -102.7 -31.69 10.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 108.27 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 150.78 96.8 0.15 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.544 1.152 . . . . 0.0 111.049 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 202' ' ' GLY . 7.1 mm -103.7 -67.56 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.599 0.823 . . . . 0.0 109.286 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -66.8 68.92 0.18 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 202' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 200' ' ' ILE . . . 94.21 -179.79 37.99 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 13.2 tt -65.84 138.22 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -79.47 -133.35 0.98 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 35.5 m -122.98 121.71 63.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.535 0.785 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.35 100.42 11.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 109.907 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 69.1 mt -82.25 152.12 67.29 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 167.55 26.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -178.82 4.43 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.419 1.747 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -41.47 120.44 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.622 1.201 . . . . 0.0 110.301 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.398 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.404 ' N ' ' HB2' ' A' ' 5' ' ' LYS . 51.5 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mp -62.61 -55.13 29.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -132.74 -59.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -155.68 82.06 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.267 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.404 ' HB2' ' N ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -124.03 118.44 26.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -80.05 56.87 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -144.88 130.55 19.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.601 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -51.52 -179.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p -123.95 148.8 27.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.39 1.056 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.42 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.3 OUTLIER -92.11 173.82 4.81 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 10' ' ' SER . 18.5 Cg_endo -74.98 -41.51 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.435 1.755 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.49 -25.22 63.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -85.41 -37.09 20.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.77 165.9 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 mp -100.7 149.3 36.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -74.94 98.5 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.605 ' HA2' HG23 ' A' ' 77' ' ' THR . . . 38.49 -159.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.449 1.093 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.434 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 1.7 tpm_? -113.38 151.81 30.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 0.754 . . . . 0.0 110.348 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -74.33 -26.62 60.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.462 HG23 ' HD2' ' A' ' 21' ' ' PRO . 2.6 m -110.85 139.05 21.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.462 ' HD2' HG23 ' A' ' 20' ' ' THR . 18.1 Cg_endo -75.06 149.41 36.4 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.81 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.0 mtp -79.01 120.42 80.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 125.3 9.21 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.511 1.795 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.51 HG21 ' CG ' ' A' ' 181' ' ' TYR . 11.0 t -139.78 150.59 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.445 ' O ' HG12 ' A' ' 24' ' ' VAL . . . -77.61 164.91 24.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.554 HG22 HD13 ' A' ' 27' ' ' LEU . 8.9 m -88.33 -45.02 10.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.554 HD13 HG22 ' A' ' 26' ' ' THR . 0.3 OUTLIER -104.76 157.56 17.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -70.86 158.44 36.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.615 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.678 ' HB2' ' OE1' ' A' ' 188' ' ' GLN . . . -85.73 -33.12 21.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.43 HG21 ' CE2' ' A' ' 60' ' ' TRP . 61.0 t -92.33 -66.62 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 66' ' ' TYR . 53.5 t30 -54.16 -36.64 63.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.07 29.29 70.71 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.48 1.113 . . . . 0.0 111.036 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.73 170.08 16.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 0.786 . . . . 0.0 109.645 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 m -39.79 138.48 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.17 -62.1 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.2 p -70.93 -45.14 64.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.379 1.05 . . . . 0.0 110.4 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -55.3 132.46 47.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.376 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.908 HG21 HD11 ' A' ' 44' ' ' ILE . 2.7 t -127.81 112.91 20.55 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 148.23 35.27 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.02 133.69 51.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.368 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.4 -12.86 33.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.7 mmt -103.39 161.88 13.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 0.803 . . . . 0.0 111.047 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -137.62 160.65 38.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.908 HD11 HG21 ' A' ' 38' ' ' VAL . 3.4 mt -115.52 150.89 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.593 ' HB1' ' CE2' ' A' ' 47' ' ' PHE . . . -140.39 130.81 25.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.5 mt -110.54 128.92 66.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.218 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.645 ' HE1' HG23 ' A' ' 138' ' ' ILE . 51.5 m-85 -148.06 152.35 37.23 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.566 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -123.9 115.26 21.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.96 -177.39 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -54.7 -95.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.487 ' O ' HG21 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -62.86 -179.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 6.0 p90 -137.3 -45.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -61.94 -45.51 93.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 108.003 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.49 -41.08 21.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.516 HG12 ' CD2' ' A' ' 59' ' ' PHE . 90.3 t -59.39 -55.38 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.496 ' O ' ' CE3' ' A' ' 60' ' ' TRP . 1.4 tt0 -54.69 -38.66 67.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.551 ' HA ' ' CZ3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -72.16 -34.76 68.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.33 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -35.06 62.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.523 ' CD1' HG12 ' A' ' 98' ' ' ILE . 0.9 OUTLIER -62.74 -65.54 0.67 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.551 ' CZ3' ' HA ' ' A' ' 57' ' ' ARG . 0.6 OUTLIER -56.3 -21.75 26.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.478 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 4.3 mm-40 -76.29 -20.45 57.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.243 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.511 HD23 ' HD2' ' A' ' 63' ' ' PRO . 1.6 tt -67.94 139.35 93.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.511 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.4 Cg_endo -74.97 114.58 4.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 0.0 111.058 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.469 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 124.75 -13.86 7.65 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.1 t -88.68 124.09 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.416 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.8 OUTLIER -77.97 -47.58 18.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 p -162.72 163.03 27.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.934 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.7 p -142.98 169.79 16.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.449 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.61 139.39 16.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.78 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -98.16 129.91 44.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.48 ' HA2' ' N ' ' A' ' 182' ' ' ALA . . . -150.59 -166.88 13.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 111.056 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.604 ' CE2' ' HA ' ' A' ' 182' ' ' ALA . 4.8 m-85 -122.31 152.12 40.42 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.528 0.781 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.477 HG23 ' C ' ' A' ' 72' ' ' TYR . 77.7 p -154.46 171.28 19.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.411 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.52 -20.5 30.61 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.589 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -83.28 -172.46 48.74 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 14.1 m-85 -113.66 -25.68 8.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.605 HG23 ' HA2' ' A' ' 17' ' ' GLY . 15.7 m -75.7 119.28 76.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.343 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.482 ' HD2' ' CA ' ' A' ' 17' ' ' GLY . 18.4 Cg_endo -74.96 138.79 23.59 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 111.072 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.49 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 7.0 p-10 41.66 60.47 8.7 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.568 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -75.01 178.1 7.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.505 1.792 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.557 ' O ' HG23 ' A' ' 85' ' ' VAL . 68.7 m -107.67 153.89 22.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -60.6 -38.3 84.19 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.66 -46.99 88.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.9 -41.63 82.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.349 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 81' ' ' THR . 27.0 t -52.91 -47.45 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.235 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -28.31 69.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.022 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.35 -33.98 76.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.55 13.16 73.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.536 1.148 . . . . 0.0 110.99 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.84 4.6 49.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 0.777 . . . . 0.0 109.271 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.7 p -110.97 -18.89 12.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.347 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.94 17.71 61.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 111.075 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.589 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 17.6 m-70 -82.25 163.33 21.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 0.0 109.621 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -130.25 175.2 9.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.566 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 66.1 mm-40 -77.75 125.17 28.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.621 1.2 . . . . 0.0 110.338 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -151.53 153.66 35.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.78 HG12 ' HA ' ' A' ' 70' ' ' ALA . 3.1 m -139.57 153.27 23.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.513 ' C ' HD12 ' A' ' 98' ' ' ILE . 4.6 ttm180 -105.54 136.81 44.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.523 HG12 ' CD1' ' A' ' 59' ' ' PHE . 4.7 mp -128.67 128.07 67.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.623 HG13 HG13 ' A' ' 44' ' ' ILE . 3.2 t -116.11 105.16 17.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.438 ' CD2' HG23 ' A' ' 105' ' ' ILE . 17.6 p90 -128.98 173.29 10.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.45 130.54 25.51 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.435 1.084 . . . . 0.0 109.243 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.11 10.79 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.536 1.808 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.46 -13.68 15.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.004 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.469 HG11 ' HA2' ' A' ' 64' ' ' GLY . 47.4 t -96.54 -47.14 12.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.438 HG23 ' CD2' ' A' ' 100' ' ' TYR . 17.7 tt -129.28 166.19 27.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.389 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.8 p -111.31 153.07 26.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 110.007 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 26.0 p90 -58.09 -38.18 75.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 111.066 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.637 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 1.1 tt0 -57.59 -38.86 75.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -65.95 -44.2 85.74 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.9 mt -60.87 -44.75 96.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.625 HD21 HD13 ' A' ' 138' ' ' ILE . 0.4 OUTLIER -65.82 -41.22 92.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -53.33 -54.49 35.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.498 HG21 HD11 ' A' ' 62' ' ' LEU . 84.7 t -59.99 -44.57 94.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 118' ' ' HIS . 24.0 t80 -55.02 -51.2 67.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 111.025 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -67.71 -19.45 65.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -80.6 -38.1 29.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -94.65 -5.21 46.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.54 ' CE1' ' OD1' ' A' ' 119' ' ' ASP . 44.4 t60 -71.25 165.17 24.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.576 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.54 ' OD1' ' CE1' ' A' ' 118' ' ' HIS . 12.4 p-10 -102.03 147.04 33.35 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 158.71 41.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.544 1.812 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 167' ' ' ARG . . . -86.17 131.92 34.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -126.3 36.03 4.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 93.35 24.55 21.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.569 ' O ' HG21 ' A' ' 170' ' ' THR . 0.0 OUTLIER -54.21 108.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 111.028 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -107.25 172.97 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.276 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -81.09 145.0 31.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.105 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 118.65 96.97 1.78 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -45.75 126.04 6.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.348 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -142.23 -49.67 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -113.01 66.1 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.637 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.507 ' O ' ' CE2' ' A' ' 134' ' ' TYR . . . 45.82 90.32 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.577 1.173 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 134' ' ' TYR . 3.7 m -85.29 -0.85 56.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 0.81 . . . . 0.0 110.355 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 132' ' ' THR . 4.3 mt-30 -38.96 -31.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.534 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 28.4 p90 -112.21 125.85 54.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.24 163.27 30.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 171' ' ' THR . 33.3 p -98.26 97.18 8.61 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -130.04 155.15 46.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.376 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.818 HG22 ' HD3' ' A' ' 140' ' ' PRO . 47.1 mt -120.75 133.45 67.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.378 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -130.28 78.18 74.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.17 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.818 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.4 Cg_endo -74.96 169.62 22.22 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.438 1.757 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.427 HD22 ' C ' ' A' ' 140' ' ' PRO . 2.8 mm? -110.21 -49.72 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.417 ' OG1' ' CG ' ' A' ' 145' ' ' GLN . 77.9 p -77.07 161.75 72.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -33.88 4.32 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.481 1.78 . . . . 0.0 111.047 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.19 -46.49 83.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.417 ' CG ' ' OG1' ' A' ' 142' ' ' THR . 88.3 mt-30 -57.8 -46.51 84.53 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.131 . . . . 0.0 110.246 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.26 -46.08 76.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 151' ' ' ALA . . . -63.69 -45.56 89.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.482 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -63.54 -36.68 84.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -63.49 -59.07 5.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -64.2 -35.75 81.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 147' ' ' ALA . . . -60.39 -35.35 75.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 53.5 p -77.8 -33.32 52.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.046 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 153' ' ' LEU . 3.0 tt -68.3 -51.2 47.38 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -24.25 65.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.16 -56.78 4.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -60.65 -39.19 87.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.471 ' O ' ' CG ' ' A' ' 160' ' ' MET . 5.5 tt0 -62.05 -45.18 94.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.85 -32.22 67.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.24 -49.37 77.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.496 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 5.5 ptm -67.92 -32.64 73.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.394 1.059 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.496 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -61.87 -39.55 92.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.7 -19.63 65.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -89.01 -2.96 58.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 74.28 32.02 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.4 121.85 41.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.87 17.44 7.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 167' ' ' ARG . . . . . 0.408 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 65.6 mtt180 -95.3 69.12 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.406 ' CA ' ' HE1' ' A' ' 160' ' ' MET . 0.0 OUTLIER -69.1 140.78 54.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.645 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.7 mp -73.85 126.98 35.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' THR . . . . . 0.569 HG21 ' O ' ' A' ' 124' ' ' MET . 4.2 p -86.89 49.2 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.38 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 136' ' ' SER . 1.3 m -90.01 136.01 33.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.414 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -121.3 132.04 54.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.088 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 14.4 mt -109.19 126.13 66.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -141.61 164.21 30.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.246 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -46.06 167.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -87.96 89.2 7.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 177' ' ' THR . . . . . 0.448 ' HB ' ' HD2' ' A' ' 178' ' ' PRO . 6.7 p -65.98 170.01 5.89 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 178' ' ' PRO . . . . . 0.448 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -75.15 110.99 3.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 0.0 110.976 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -76.26 135.62 39.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 111.054 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 180' ' ' TYR . . . . . 0.417 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 15.8 m-85 -121.21 118.58 29.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.51 ' CG ' HG21 ' A' ' 24' ' ' VAL . 61.0 m-85 -37.67 159.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.093 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.604 ' HA ' ' CE2' ' A' ' 72' ' ' TYR . . . -93.74 -66.38 0.92 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -163.58 147.47 10.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.41 -21.83 66.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.24 -40.3 30.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -81.03 -32.41 34.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.55 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 0.471 ' C ' ' CG ' ' A' ' 188' ' ' GLN . 2.2 tp60 -55.07 116.35 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.344 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.678 ' OE1' ' HB2' ' A' ' 29' ' ' ALA . 0.7 OUTLIER 43.64 55.55 4.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.36 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.46 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 63.4 t80 -85.81 -49.57 7.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.061 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.539 HD11 ' O ' ' A' ' 196' ' ' GLY . 9.1 tp -55.63 -22.39 22.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.217 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.479 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -55.5 -35.79 65.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 0.0 109.639 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 192' ' ' LYS . . . . . 0.427 ' HG2' ' ND2' ' A' ' 193' ' ' ASN . 32.9 pttt -90.06 -22.82 21.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.082 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.3 OUTLIER -122.8 90.88 49.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.231 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -16.46 20.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.539 1.81 . . . . 0.0 111.016 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -95.44 4.57 53.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.454 1.096 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 196' ' ' GLY . . . . . 0.539 ' O ' HD11 ' A' ' 190' ' ' LEU . . . -74.69 55.6 2.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.441 1.088 . . . . 0.0 110.965 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -53.79 141.69 26.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.73 167.16 21.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 108.342 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -79.31 135.94 16.37 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 200' ' ' ILE . 26.3 mm -84.15 -67.36 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.506 0.768 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -174.88 58.13 0.12 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -128.9 72.69 0.47 Allowed Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.428 ' O ' ' CG1' ' A' ' 203' ' ' ILE . 4.1 tt -99.12 10.09 7.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 39.08 -124.39 1.75 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.564 1.165 . . . . 0.0 111.048 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 6.2 m -123.73 143.74 35.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.438 0.728 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.55 -75.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.935 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 208' ' ' PRO . 33.2 mt -91.9 143.62 28.05 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 208' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 207' ' ' LEU . 18.3 Cg_endo -75.03 161.6 38.42 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.547 1.814 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 140.46 25.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.793 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -55.6 122.85 12.26 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.557 1.161 . . . . 0.0 110.25 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.63 ' H ' HD13 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -65.63 159.87 23.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -79.75 171.63 14.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -56.71 108.61 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -78.4 79.21 4.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -105.05 -62.04 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.214 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -128.1 -45.86 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.625 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.12 133.91 38.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.234 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.693 HG12 ' HA3' ' A' ' 91' ' ' GLY . 13.4 p -67.8 153.66 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.414 1.071 . . . . 0.0 109.288 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.36 167.33 36.36 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 110.067 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.9 1.82 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.546 1.814 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.52 -33.43 75.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.65 -36.7 28.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.41 140.65 21.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.24 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.2 mt -99.9 154.72 37.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 101.05 1.42 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.485 1.782 . . . . 0.0 111.002 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.0 -119.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.124 . . . . 0.0 111.077 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 ttp85 -133.88 160.81 36.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 0.792 . . . . 0.0 110.259 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -95.07 -36.54 11.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -82.92 123.37 77.89 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.463 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.492 ' HA ' ' ND2' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -75.03 155.06 42.77 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.789 . . . . 0.0 110.981 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.16 150.57 96.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.597 1.186 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 143.63 29.16 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.464 1.77 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.724 HG11 ' CE1' ' A' ' 181' ' ' TYR . 55.2 t -139.15 128.23 29.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.279 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -42.18 156.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 m -80.24 -45.13 18.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.493 HD12 ' N ' ' A' ' 34' ' ' SER . 0.5 OUTLIER -98.9 155.73 17.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.584 ' CE1' ' OE1' ' A' ' 188' ' ' GLN . 25.9 t-80 -71.07 163.88 26.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.645 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.783 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -87.13 -30.32 21.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.575 HG21 ' CE2' ' A' ' 60' ' ' TRP . 69.3 t -95.41 -67.79 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 32.2 m-80 -55.1 -36.01 65.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 69.26 25.04 75.79 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.559 1.162 . . . . 0.0 110.996 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.596 ' CG ' ' N ' ' A' ' 34' ' ' SER . 13.5 t60 -126.89 170.13 12.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.561 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.596 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 3.1 m -42.81 132.77 3.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.052 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.37 -64.39 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 37' ' ' ASN . 4.3 t -61.64 -51.89 66.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.454 ' N ' HG23 ' A' ' 36' ' ' THR . 1.4 m-20 -54.87 126.05 22.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.677 HG13 ' HB3' ' A' ' 42' ' ' MET . 2.6 t -111.56 134.45 21.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.242 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.575 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -75.02 147.93 34.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.812 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.47 112.57 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.31 10.48 23.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.677 ' HB3' HG13 ' A' ' 38' ' ' VAL . 3.7 tpt -100.52 161.02 13.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 0.756 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -141.52 145.48 35.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.674 HD11 HG21 ' A' ' 38' ' ' VAL . 3.5 mp -106.57 145.36 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -123.19 129.54 51.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 3.6 mt -118.53 131.89 70.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 1.011 ' CZ ' HD13 ' A' ' 98' ' ' ILE . 0.5 OUTLIER -156.97 165.82 35.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.935 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -136.43 114.54 11.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.474 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 1.6 ptm -148.48 131.96 16.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 110.984 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 49' ' ' MET . . . 34.6 -146.95 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.419 1.075 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.0 p -61.1 173.93 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.486 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 7.5 p90 -127.98 -1.55 5.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.465 ' C ' HD12 ' A' ' 190' ' ' LEU . 10.6 m0 -87.93 -50.66 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 107.957 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.44 -34.31 40.71 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.544 1.153 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.732 HG22 ' ND2' ' A' ' 117' ' ' ASN . 62.1 t -71.04 -54.02 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.739 . . . . 0.0 109.364 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.486 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 15.0 tt0 -48.03 -51.37 24.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.813 ' HD3' HD13 ' A' ' 190' ' ' LEU . 2.1 ptt180 -64.23 -24.97 67.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.423 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -78.29 -24.79 46.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.836 ' CZ ' ' CE2' ' A' ' 47' ' ' PHE . 5.6 m-85 -84.4 -57.82 3.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.044 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.728 ' HA ' HG11 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -55.66 -26.82 46.57 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.493 1.12 . . . . 0.0 107.986 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 73.2 mt-30 -76.09 -9.91 59.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.342 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.561 HD11 HG21 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -79.18 144.63 63.1 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 124.01 8.28 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.439 ' O ' ' HA ' ' A' ' 100' ' ' TYR . . . 117.5 -16.66 12.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 0.0 111.06 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.728 HG11 ' HA ' ' A' ' 60' ' ' TRP . 47.7 t -76.63 110.0 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CE2' ' HG3' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -75.37 -47.94 25.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.961 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.0 m -144.44 152.01 40.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.843 HG23 HG13 ' A' ' 98' ' ' ILE . 2.4 m -137.13 140.28 41.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.335 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.424 ' HA ' ' NE2' ' A' ' 187' ' ' GLN . . . -139.69 166.03 25.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.903 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -132.31 140.53 48.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 0.0 109.268 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.814 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -164.08 -155.68 8.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -132.24 168.91 17.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -175.77 161.93 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.36 -18.14 55.82 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.558 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -85.8 -176.18 50.15 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -114.97 -19.78 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 111.051 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 1.2 m -74.87 121.6 85.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.173 . . . . 0.0 110.413 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 141.06 26.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.455 1.766 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.492 ' ND2' ' HA ' ' A' ' 21' ' ' PRO . 17.0 t-20 42.44 63.7 6.78 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.571 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -74.97 161.96 37.98 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.1 p -110.14 153.39 24.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -54.69 -35.55 63.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -63.41 -47.49 81.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.173 . . . . 0.0 110.326 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.46 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 49.8 mt-10 -72.31 -45.1 61.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.6 t -51.53 -38.82 21.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.4 t -72.24 -33.62 67.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.088 . . . . 0.0 110.019 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.6 m -63.74 -39.55 94.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.944 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.01 8.35 59.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.449 1.093 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -80.78 -17.36 51.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.46 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 8.5 p -88.77 -19.42 26.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.387 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.693 ' HA3' HG12 ' A' ' 9' ' ' VAL . . . 64.13 15.34 58.44 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.571 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 30.5 m-70 -83.71 151.3 25.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.77 . . . . 0.0 109.588 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -121.46 168.5 11.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.463 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 0.2 OUTLIER -70.24 129.32 39.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -156.31 151.37 26.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.903 HG12 ' HA ' ' A' ' 70' ' ' ALA . 4.8 m -140.68 164.92 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.773 ' C ' HD12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -126.13 122.24 35.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.011 HD13 ' CZ ' ' A' ' 47' ' ' PHE . 1.6 mp -111.69 132.28 60.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.516 HG22 ' CG1' ' A' ' 44' ' ' ILE . 11.6 t -109.55 108.84 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.439 ' HA ' ' O ' ' A' ' 64' ' ' GLY . 8.5 p90 -128.48 172.27 11.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.421 ' N ' ' HE3' ' A' ' 42' ' ' MET . 0.4 OUTLIER -112.26 133.05 21.83 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.424 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.4 Cg_endo -74.95 -1.09 10.76 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.498 1.789 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.09 -25.33 19.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 110.038 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 77.4 t -109.05 -49.15 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.65 HD11 ' CG ' ' A' ' 109' ' ' GLN . 0.2 OUTLIER -121.93 131.28 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.561 ' N ' HD13 ' A' ' 105' ' ' ILE . 3.5 p -98.44 150.82 21.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.669 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 2.3 p90 -63.76 -36.63 84.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.669 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 15.6 tt0 -53.11 -48.61 67.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.65 ' CG ' HD11 ' A' ' 105' ' ' ILE . 2.0 pt20 -63.36 -36.91 85.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.474 HD21 HD22 ' A' ' 62' ' ' LEU . 17.2 mt -58.72 -49.51 77.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.432 ' HB3' ' CZ2' ' A' ' 115' ' ' TRP . 26.8 mt -50.88 -39.31 53.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.45 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -63.11 -34.73 78.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.561 HG21 HD11 ' A' ' 62' ' ' LEU . 14.0 t -74.86 -37.58 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 118' ' ' HIS . 7.9 m-85 -54.46 -53.16 57.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.574 ' CZ2' ' HB2' ' A' ' 152' ' ' SER . 0.7 OUTLIER -61.31 -23.11 65.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 107.981 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.58 -38.24 70.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.732 ' ND2' HG22 ' A' ' 55' ' ' VAL . 1.1 t30 -95.04 -14.48 24.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.556 ' HD1' ' N ' ' A' ' 119' ' ' ASP . 16.1 t-80 -69.76 148.67 48.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.643 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.556 ' N ' ' HD1' ' A' ' 118' ' ' HIS . 6.9 m-20 -112.23 155.56 43.35 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.162 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 160.54 39.97 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 167' ' ' ARG . . . -84.37 127.83 34.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -106.85 -28.82 9.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.562 1.164 . . . . 0.0 110.25 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.05 29.94 10.89 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.444 1.09 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.5 ttp -44.11 142.26 1.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 0.809 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -138.37 122.66 18.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -119.11 174.1 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -170.82 59.02 0.18 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -157.92 -57.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 109.251 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.42 122.75 40.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.64 108.06 19.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.622 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 117.72 84.1 0.98 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.393 1.058 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.601 ' O ' ' CE1' ' A' ' 134' ' ' TYR . 9.1 p -82.07 -17.25 47.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 110.39 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 60.72 27.81 17.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.24 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.601 ' CE1' ' O ' ' A' ' 132' ' ' THR . 5.8 m-85 -126.91 125.3 41.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -147.32 92.99 2.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 73.7 m -60.82 91.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -133.99 163.92 28.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.883 HG22 ' HD3' ' A' ' 140' ' ' PRO . 30.0 mt -122.85 130.45 74.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.406 ' HB3' ' HA ' ' A' ' 176' ' ' ALA . 27.9 m-85 -122.87 75.45 48.16 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 111.047 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.883 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.2 Cg_endo -74.98 169.65 22.16 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.875 HD22 ' CB ' ' A' ' 176' ' ' ALA . 0.2 OUTLIER -109.16 -55.44 2.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.6 p -67.97 157.29 87.33 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -42.61 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.544 1.813 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.36 -38.67 80.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.366 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -68.57 -35.51 77.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.178 . . . . 0.0 110.339 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -49.24 61.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.377 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -65.9 -35.44 80.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.9 -45.98 59.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.41 -56.57 18.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 151' ' ' ALA . 8.6 ptp180 -60.52 -34.33 73.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.351 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -60.27 -45.44 93.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.394 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 23.1 p -59.07 -43.55 91.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.942 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.455 HD23 ' C ' ' A' ' 153' ' ' LEU . 6.1 tt -53.5 -50.37 65.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -52.53 -46.78 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -40.4 74.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -59.84 -48.1 83.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 158' ' ' ALA . 1.2 pt20 -70.03 -26.07 63.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 157' ' ' GLN . . . -68.73 -46.95 67.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 162' ' ' ALA . . . -64.3 -42.8 96.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.417 ' C ' ' SD ' ' A' ' 160' ' ' MET . 14.5 tmm? -60.64 -48.15 83.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.587 HD22 ' O ' ' A' ' 165' ' ' ASP . 0.1 OUTLIER -64.38 -30.07 71.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 159' ' ' ALA . . . -61.85 -20.06 63.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -89.26 14.46 10.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 2.5 t70 58.7 31.05 20.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' ASP . . . . . 0.587 ' O ' HD22 ' A' ' 161' ' ' LEU . 1.2 m-20 -104.49 136.01 44.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.383 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -98.13 8.45 44.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.205 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' ARG . . . . . 0.43 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 1.3 mtm-85 -80.19 72.65 7.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.43 1.081 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -66.45 142.5 57.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.658 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.4 mp -78.77 131.01 35.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 27.1 p -85.71 48.21 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.424 HG22 HD12 ' A' ' 153' ' ' LEU . 3.2 m -90.73 124.25 34.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.384 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.84 140.52 52.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.604 1.19 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.1 mp -117.88 127.59 75.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -140.34 171.74 13.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.077 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -42.76 164.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.875 ' CB ' HD22 ' A' ' 141' ' ' LEU . . . -86.93 87.85 7.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 177' ' ' THR . . . . . 0.421 ' H ' HG23 ' A' ' 177' ' ' THR . 30.1 p -59.66 164.23 5.89 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 178' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.3 Cg_endo -74.9 117.53 4.96 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.768 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.574 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -76.59 141.77 40.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 180' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 181' ' ' TYR . 40.3 m-85 -119.37 105.38 11.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.724 ' CE1' HG11 ' A' ' 24' ' ' VAL . 18.4 m-85 -35.72 150.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.814 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -107.91 173.52 6.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -44.1 141.54 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -54.97 -36.34 65.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.71 -42.98 89.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -68.26 -46.26 70.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.567 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 187' ' ' GLN . 14.6 tp60 -49.46 112.65 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.276 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.783 ' OE1' ' HB3' ' A' ' 29' ' ' ALA . 10.0 mt-30 49.42 58.73 5.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 189' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -82.06 -37.99 25.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.813 HD13 ' HD3' ' A' ' 57' ' ' ARG . 0.5 OUTLIER -72.45 -27.94 62.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.536 ' CE1' ' HG2' ' A' ' 192' ' ' LYS . 0.0 OUTLIER -57.07 -38.85 73.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.616 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 192' ' ' LYS . . . . . 0.536 ' HG2' ' CE1' ' A' ' 191' ' ' HIS . 9.8 mmmt -65.02 -42.75 94.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.807 ' O ' HD23 ' A' ' 190' ' ' LEU . 0.0 OUTLIER -120.38 103.9 43.76 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -11.48 21.37 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 195' ' ' TYR . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 193' ' ' ASN . 47.9 p90 -96.77 13.86 27.08 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.55 1.157 . . . . 0.0 110.97 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 196' ' ' GLY . . . . . 0.449 ' O ' HD21 ' A' ' 190' ' ' LEU . . . -101.1 58.1 0.68 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -50.98 130.02 24.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 110.971 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 10.0 t -53.44 -61.09 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.268 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 116.28 60.99 0.33 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 33.3 pt -128.11 176.45 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.739 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 124.02 45.09 0.28 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.59 1.181 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 67.67 66.33 2.38 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.458 ' C ' HD13 ' A' ' 203' ' ' ILE . 0.0 OUTLIER -71.13 -177.6 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 109.258 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -159.34 75.85 0.2 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 54.5 t -116.67 -44.14 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 77.9 p -51.15 109.03 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.042 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 66.1 mt -88.12 152.35 50.44 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 208' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 209' ' ' PRO . 18.3 Cg_endo -75.1 142.12 27.19 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.467 1.772 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 209' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 208' ' ' PRO . 18.4 Cg_endo -74.98 167.68 26.51 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.542 1.812 . . . . 0.0 111.041 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -70.62 149.05 47.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.683 ' H ' HD13 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -80.1 156.58 26.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -50.27 168.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -144.88 170.23 16.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -142.03 129.03 20.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -107.62 168.66 9.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -83.82 179.98 7.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.601 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tp -52.1 145.11 10.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.724 HG11 ' C ' ' A' ' 89' ' ' ASP . 9.5 p -112.83 156.96 13.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.49 166.2 35.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.023 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -33.05 5.04 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.479 1.779 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.0 -27.05 54.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.07 -37.15 26.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.365 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 76' ' ' TYR . . . -50.08 109.7 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.448 ' O ' HG23 ' A' ' 77' ' ' THR . 1.2 mt -100.34 155.08 36.8 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 101.53 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.771 . . . . 0.0 111.041 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.78 -86.3 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.105 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.53 163.28 34.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 0.787 . . . . 0.0 110.306 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -108.07 30.7 6.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.0 m -101.61 111.1 63.46 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.524 1.14 . . . . 0.0 110.386 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 136.58 20.58 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.463 1.77 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.498 ' CE ' HG23 ' A' ' 81' ' ' THR . 0.7 OUTLIER -71.59 150.98 93.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.94 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 128.59 11.6 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.44 HG21 ' CD2' ' A' ' 181' ' ' TYR . 3.0 t -123.06 136.24 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.15 153.21 42.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.651 HG22 HD13 ' A' ' 27' ' ' LEU . 18.2 m -78.5 -44.1 25.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.651 HD13 HG22 ' A' ' 26' ' ' THR . 0.0 OUTLIER -103.45 132.28 49.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.575 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 25.4 t-80 -44.44 160.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.601 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.506 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -84.51 -29.69 25.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 1.048 HG11 ' CE2' ' A' ' 60' ' ' TRP . 55.3 t -95.39 -66.34 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -54.83 -39.96 69.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.36 19.61 79.37 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.472 ' CG ' ' N ' ' A' ' 34' ' ' SER . 5.9 t-80 -122.99 162.67 21.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 0.722 . . . . 0.0 109.627 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.472 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 1.0 OUTLIER -42.34 142.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.8 mtp -98.33 -60.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.1 t -60.65 -47.68 85.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.415 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.436 ' HB2' ' CB ' ' A' ' 34' ' ' SER . 3.5 m-80 -54.32 125.63 20.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 0.0 109.217 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.697 HG21 HD11 ' A' ' 44' ' ' ILE . 17.3 t -116.17 117.23 39.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 146.19 32.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.778 . . . . 0.0 111.044 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.99 131.66 47.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 109.274 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.33 2.15 59.08 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.521 ' HG2' HG12 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -108.17 151.51 25.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.584 0.814 . . . . 0.0 111.042 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -131.08 165.19 23.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.183 . . . . 0.0 110.238 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.697 HD11 HG21 ' A' ' 38' ' ' VAL . 3.0 mt -115.92 152.61 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -149.88 136.96 19.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.175 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.527 HG22 ' HD2' ' A' ' 139' ' ' TYR . 71.0 mt -114.83 138.4 45.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -148.88 147.53 28.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 111.077 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -129.47 115.02 16.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 0.0 109.34 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.775 ' HB2' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -120.74 -176.73 3.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 111.033 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.79 -78.96 0.07 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.9 t -77.84 179.89 6.41 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.526 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -127.82 -43.49 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.675 ' HB3' HD23 ' A' ' 190' ' ' LEU . 14.0 m0 -71.45 -34.25 70.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.185 . . . . 0.0 108.109 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.11 -48.98 7.2 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.775 HG11 ' HB2' ' A' ' 49' ' ' MET . 70.9 t -63.13 -51.18 74.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HB2' HG11 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -55.22 -50.43 69.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.342 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -69.07 -26.77 65.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.416 1.073 . . . . 0.0 110.321 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.447 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -68.33 -33.76 74.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.584 1.177 . . . . 0.0 109.335 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.72 ' CE2' HG12 ' A' ' 55' ' ' VAL . 16.8 m-85 -68.42 -47.82 66.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 1.048 ' CE2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -67.37 -55.85 12.09 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.525 ' N ' ' CG ' ' A' ' 60' ' ' TRP . 2.7 mt-30 -48.81 -22.25 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.248 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.835 HD13 ' HD2' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -72.87 142.64 83.39 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.835 ' HD2' HD13 ' A' ' 62' ' ' LEU . 18.4 Cg_endo -75.01 116.94 4.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.451 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 122.81 -17.52 8.18 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.529 1.143 . . . . 0.0 111.06 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.689 HG21 ' O ' ' A' ' 59' ' ' PHE . 63.3 t -88.39 125.38 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 0.798 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.44 ' HB2' ' HE2' ' A' ' 42' ' ' MET . 0.2 OUTLIER -79.1 -56.86 4.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.932 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.4 p -152.31 166.32 32.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.101 . . . . 0.0 109.945 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 71.5 p -144.04 149.68 37.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 0.0 110.37 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -128.02 138.66 52.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.887 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -97.79 139.1 34.16 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.412 ' CA ' ' O ' ' A' ' 180' ' ' TYR . . . -166.21 -162.97 18.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -142.78 163.37 32.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 0.0 111.053 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.475 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 10.0 t -168.71 160.46 10.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 110.397 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.33 -20.25 49.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.528 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -70.7 -178.75 26.75 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.476 ' HB2' ' CB ' ' A' ' 14' ' ' ALA . 37.5 m-85 -115.09 -18.6 11.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 15' ' ' LEU . 27.7 m -74.83 128.57 85.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 110.37 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -75.01 119.89 5.84 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.443 1.759 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 78' ' ' PRO . 8.6 t-20 40.0 65.6 3.7 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.561 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.02 176.09 10.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.544 1.813 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.498 HG23 ' CE ' ' A' ' 22' ' ' MET . 23.5 m -102.2 159.94 14.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 110.34 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -52.82 -48.62 66.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -36.91 75.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -70.6 -41.45 72.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.56 -46.06 76.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -29.36 68.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.423 1.077 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.1 t -71.36 -39.89 70.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.8 12.43 57.97 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.505 1.128 . . . . 0.0 111.044 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.724 ' C ' HG11 ' A' ' 9' ' ' VAL . 35.8 m-20 -84.29 5.75 25.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.3 p -113.38 -25.51 8.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.356 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.21 29.55 66.32 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.481 1.113 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.561 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 18.6 m-70 -82.99 155.52 23.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.623 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 73' ' ' THR . . . -112.55 142.31 45.28 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.72 110.81 7.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.03 153.75 51.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.887 HG12 ' HA ' ' A' ' 70' ' ' ALA . 34.8 m -140.03 149.85 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 179' ' ' PHE . 2.1 ttm180 -93.38 145.07 24.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.529 HG12 ' CG ' ' A' ' 59' ' ' PHE . 3.5 mp -135.62 117.81 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.587 HG22 ' CG1' ' A' ' 44' ' ' ILE . 58.4 t -110.03 106.34 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 9.0 p90 -127.08 177.46 6.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.548 1.155 . . . . 0.0 110.964 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.57 133.05 20.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.4 Cg_endo -75.01 0.55 8.78 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.6 -26.73 15.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 64.3 t -101.49 -50.23 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.796 HD11 ' CD2' ' A' ' 110' ' ' LEU . 3.7 tt -119.3 143.59 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 p -115.52 155.52 27.37 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 16.0 p90 -63.36 -24.65 67.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.403 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.2 tt0 -65.06 -45.26 86.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.413 ' OE1' ' HA ' ' A' ' 105' ' ' ILE . 6.0 pt20 -72.65 -39.42 67.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.796 ' CD2' HD11 ' A' ' 105' ' ' ILE . 16.0 mt -58.98 -52.0 67.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.358 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.636 HD23 ' N ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -59.98 -29.18 68.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.636 ' N ' HD23 ' A' ' 111' ' ' LEU . 9.4 mt-30 -72.1 -44.79 62.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -71.92 -34.21 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -61.98 -42.82 99.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.817 ' HZ3' HG21 ' A' ' 171' ' ' THR . 35.3 m95 -75.02 -14.24 60.58 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -86.06 -17.61 34.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.461 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 0.6 OUTLIER -116.76 5.16 13.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.51 175.1 10.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.607 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 36.7 p30 -119.21 157.17 51.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 160.5 39.75 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.496 1.787 . . . . 0.0 111.013 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.56 126.5 33.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.442 ' HG2' ' CB ' ' A' ' 126' ' ' GLN . 0.5 OUTLIER -114.35 -20.99 10.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.336 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.65 -0.04 70.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.76 -61.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 0.0 110.978 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -166.95 167.88 14.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.442 ' CB ' ' HG2' ' A' ' 122' ' ' GLN . 8.3 tm0? -132.04 116.45 17.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 126' ' ' GLN . . . 33.62 39.78 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -175.23 173.31 2.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.748 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -108.66 97.39 7.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.98 169.06 5.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 109.567 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -112.54 137.81 14.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 7.8 p -82.1 -12.77 58.03 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.517 0.775 . . . . 0.0 110.373 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.29 -35.54 80.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.417 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 29.0 p90 -126.4 125.22 41.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -130.35 163.68 26.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.0 t -83.88 109.45 17.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.934 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -144.83 148.71 34.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.992 HG22 ' HD3' ' A' ' 140' ' ' PRO . 66.9 mt -111.08 130.49 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.527 ' HD2' HG22 ' A' ' 46' ' ' ILE . 28.0 m-85 -126.18 71.05 69.74 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.992 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.4 Cg_endo -74.89 167.4 27.15 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.551 1.816 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.09 -60.99 1.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 0.0 109.293 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.761 HG23 ' HB2' ' A' ' 145' ' ' GLN . 0.1 OUTLIER -56.22 155.38 13.01 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -35.87 2.87 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -65.09 -35.45 81.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.09 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.761 ' HB2' HG23 ' A' ' 142' ' ' THR . 58.3 tt0 -67.8 -49.26 63.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 0.0 110.27 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.42 -35.71 63.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -73.44 -43.26 60.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.65 -46.48 85.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.466 ' HA ' HD12 ' A' ' 111' ' ' LEU . . . -55.79 -53.31 58.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.54 ' HG2' HD13 ' A' ' 173' ' ' ILE . 7.4 mtm180 -68.25 -29.28 68.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -61.36 -48.32 81.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 156' ' ' PHE . 1.8 p -56.72 -44.62 81.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.96 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.777 HD23 ' N ' ' A' ' 153' ' ' LEU . 0.4 OUTLIER -65.88 -37.39 85.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 0.0 109.3 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -49.37 -46.74 47.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 159' ' ' ALA . 0.0 OUTLIER -91.43 -52.58 4.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' A' ' 152' ' ' SER . 10.1 t80 -50.21 -51.35 44.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.524 ' CB ' ' O ' ' A' ' 153' ' ' LEU . 39.4 tt0 -56.51 -44.08 80.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.83 -28.5 63.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 155' ' ' ARG . . . -65.67 -48.75 71.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.528 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 2.9 ptm -65.73 -32.03 73.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.528 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -68.2 -42.02 80.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.26 -19.39 65.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -82.03 1.87 33.7 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 3.6 t70 72.21 22.46 3.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.19 111.97 24.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.43 -1.87 39.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.62 79.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -49.95 153.27 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.66 140.19 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 7.1 p -98.23 1.94 47.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.393 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.817 HG21 ' HZ3' ' A' ' 115' ' ' TRP . 78.6 p -92.26 126.61 37.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.452 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.02 124.52 45.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.54 HD13 ' HG2' ' A' ' 150' ' ' ARG . 2.9 mt -95.35 120.82 45.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -144.82 164.87 29.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -41.84 161.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.493 ' HB1' HD12 ' A' ' 46' ' ' ILE . . . -89.86 86.76 6.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 18.4 p -59.83 160.88 13.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 0.0 110.342 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 98.71 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.503 1.791 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.592 ' CZ ' ' CE1' ' A' ' 181' ' ' TYR . 0.7 OUTLIER -79.0 139.68 38.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 180' ' ' TYR . . . . . 0.412 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 6.6 m-85 -95.5 123.69 39.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 111.072 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.592 ' CE1' ' CZ ' ' A' ' 179' ' ' PHE . 3.7 m-85 -51.42 157.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -110.48 167.72 10.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.563 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 11.7 tp10 -40.02 146.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -64.75 -24.46 67.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.31 -39.0 68.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 186' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 43.6 m-70 -71.88 -44.21 64.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.571 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 0.431 ' HG2' ' HB3' ' A' ' 70' ' ' ALA . 10.9 mt-30 -57.29 125.61 23.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.575 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 4.1 mp0 54.7 47.23 22.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.502 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 12.2 t80 -85.15 -24.84 27.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 111.058 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.675 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -75.08 -46.27 35.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.356 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.784 ' CG ' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -58.75 -28.98 66.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.557 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -70.41 -31.71 69.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.244 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.7 OUTLIER -136.49 103.67 9.4 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -12.17 21.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -97.55 18.33 15.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -108.91 41.98 2.08 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.507 1.129 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 197' ' ' TYR . . . . . 0.498 ' O ' ' CG ' ' A' ' 197' ' ' TYR . 1.7 p90 -51.34 129.58 25.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 0.784 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -58.04 3.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 108.314 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 109.15 96.39 2.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -150.06 170.65 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.502 0.766 . . . . 0.0 109.234 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 90.38 -12.5 67.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.546 1.154 . . . . 0.0 111.055 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 117.06 101.48 2.18 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.713 ' C ' HD12 ' A' ' 203' ' ' ILE . 1.4 pp -92.13 166.18 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 204' ' ' GLY . . . . . 0.452 ' N ' HD12 ' A' ' 203' ' ' ILE . . . -74.0 -89.46 0.18 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 19.1 m -133.71 138.2 51.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 97.7 p -158.26 138.81 12.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.982 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 27.3 mt -82.33 152.51 67.68 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.434 1.084 . . . . 0.0 109.244 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 155.51 42.69 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.514 1.797 . . . . 0.0 111.005 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 178.48 7.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.67 -56.36 22.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -79.72 -59.0 2.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.473 ' CZ ' ' OD1' ' A' ' 89' ' ' ASP . 11.1 p90 -57.75 165.43 1.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -144.4 99.29 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -105.16 131.81 52.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.582 1.176 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -82.43 64.94 7.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.62 160.41 43.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.627 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.0 tp -53.12 128.84 29.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.48 HG11 ' C ' ' A' ' 89' ' ' ASP . 8.7 p -104.41 150.79 7.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.357 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.95 166.44 16.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.945 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.462 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.01 -30.57 7.0 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.511 1.795 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.08 -26.22 60.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.479 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -90.37 -38.86 13.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.229 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.49 113.15 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 13' ' ' ASP . 0.2 OUTLIER -94.37 156.74 38.39 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 99.74 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.523 1.801 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.473 ' H ' HG23 ' A' ' 77' ' ' THR . . . -52.29 -91.77 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -102.18 156.12 17.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 110.247 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -95.05 -36.0 11.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.361 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.439 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 2.1 t -95.2 135.14 23.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.482 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.493 ' N ' HD22 ' A' ' 79' ' ' ASN . 18.1 Cg_endo -75.0 155.2 42.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.774 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.2 ptp -81.77 138.46 46.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.37 35.14 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.566 1.824 . . . . 0.0 111.018 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.512 HG21 ' CB ' ' A' ' 181' ' ' TYR . 25.6 t -130.49 146.02 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.76 150.0 4.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.658 HG22 HD13 ' A' ' 27' ' ' LEU . 3.5 m -81.21 -41.6 22.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.419 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.658 HD13 HG22 ' A' ' 26' ' ' THR . 0.2 OUTLIER -108.21 133.6 52.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.431 1.082 . . . . 0.0 109.367 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.544 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 20.6 t-80 -45.54 157.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.601 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.881 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -84.8 -26.53 27.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.89 HG11 ' CD2' ' A' ' 60' ' ' TRP . 51.8 t -95.67 -67.77 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -55.18 -39.42 69.54 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.511 1.132 . . . . 0.0 109.399 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.56 19.35 76.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.562 ' CG ' ' N ' ' A' ' 34' ' ' SER . 7.2 t-80 -126.25 169.86 12.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.658 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.562 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 16.7 m -38.86 138.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.051 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.12 -50.57 4.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 111.021 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.44 HG23 ' N ' ' A' ' 37' ' ' ASN . 6.9 t -67.45 -50.05 60.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 110.431 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.44 ' N ' HG23 ' A' ' 36' ' ' THR . 21.2 t-20 -54.84 143.43 25.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.647 HG13 ' HD2' ' A' ' 39' ' ' PRO . 54.4 t -126.32 140.99 38.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.647 ' HD2' HG13 ' A' ' 38' ' ' VAL . 18.7 Cg_endo -74.91 144.86 31.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.491 1.784 . . . . 0.0 111.075 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.23 120.33 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.09 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.55 8.58 52.1 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.445 1.091 . . . . 0.0 111.054 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.479 ' SD ' ' CA ' ' A' ' 101' ' ' ASP . 1.8 tpp -105.13 159.52 15.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.23 166.22 23.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.791 ' CG1' HG22 ' A' ' 99' ' ' VAL . 3.3 mt -111.82 154.73 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -145.78 129.9 17.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.507 HD12 ' HB1' ' A' ' 176' ' ' ALA . 55.7 mt -107.78 131.91 56.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -141.74 147.99 38.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.406 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -124.87 118.47 26.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.391 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.818 ' HB3' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -129.66 179.14 6.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.408 1.068 . . . . 0.0 111.044 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -56.53 -98.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.105 . . . . 0.0 111.008 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 1.151 ' SG ' ' SG ' ' A' ' 198' ' ' CYS . 6.2 p -73.7 89.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.447 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 37.8 p90 -58.37 -18.86 30.93 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.938 ' HB3' HD23 ' A' ' 190' ' ' LEU . 0.9 OUTLIER -67.78 -48.42 66.38 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -74.72 -40.72 36.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.818 HG21 ' HB3' ' A' ' 49' ' ' MET . 86.7 t -61.98 -57.1 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 0.743 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -40.84 50.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.373 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.477 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 32.9 ttt180 -74.13 -29.63 61.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.344 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.56 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -75.12 -38.39 61.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.586 ' CE2' HG12 ' A' ' 55' ' ' VAL . 2.0 m-85 -58.17 -52.2 66.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 111.021 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.89 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -69.07 -52.0 32.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 108.014 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.587 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 10.6 mm-40 -49.24 -22.12 0.97 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.925 HD13 ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -72.38 139.45 81.5 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.925 ' HD2' HD13 ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.0 114.64 4.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.461 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 126.58 -10.59 7.17 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.514 1.133 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.555 HG21 ' O ' ' A' ' 59' ' ' PHE . 38.1 t -94.63 127.56 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -79.86 -56.71 4.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.7 p -152.23 165.01 36.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 110.009 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 81.4 p -136.89 170.53 15.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.426 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.503 ' HB1' ' CD1' ' A' ' 181' ' ' TYR . . . -155.22 131.89 10.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -97.02 139.33 33.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -170.91 -160.36 19.22 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -140.89 164.74 29.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 0.786 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.1 t -166.6 164.72 16.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.37 -19.68 51.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.11 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.524 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -77.25 178.4 51.56 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.462 ' CD1' ' HB3' ' A' ' 11' ' ' PRO . 34.0 m-85 -114.56 -18.62 11.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.789 . . . . 0.0 111.015 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.922 HG21 ' OE2' ' A' ' 84' ' ' GLU . 18.8 m -74.41 122.18 86.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 151.35 39.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 111.041 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.493 HD22 ' N ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER 40.58 63.3 5.61 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 17.9 Cg_endo -75.08 153.88 41.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 57.6 p -114.13 154.15 28.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -49.93 -41.61 46.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -65.65 -32.31 73.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.242 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.922 ' OE2' HG21 ' A' ' 77' ' ' THR . 4.7 tt0 -66.81 -45.35 78.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 39.7 t -54.73 -45.77 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -26.95 68.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 p -67.45 -40.01 85.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.09 10.62 85.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.135 . . . . 0.0 111.036 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.48 ' C ' HG11 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -97.3 9.84 41.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 109.303 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.509 HG22 ' HG2' ' A' ' 84' ' ' GLU . 2.8 p -107.33 -24.35 11.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.369 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.0 14.43 70.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.524 ' CG ' ' HA3' ' A' ' 75' ' ' GLY . 30.4 m-70 -79.19 158.23 27.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 109.663 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -121.24 161.7 21.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.406 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 63.0 mm-40 -82.87 112.85 20.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.79 166.01 20.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.365 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.3 t -146.68 139.28 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 179' ' ' PHE . 18.3 ttm180 -97.56 141.65 30.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.523 HG12 ' CG ' ' A' ' 59' ' ' PHE . 4.6 mp -136.11 134.12 50.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.791 HG22 ' CG1' ' A' ' 44' ' ' ILE . 76.3 t -120.01 104.05 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.613 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 4.6 p90 -126.16 177.72 6.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.479 ' CA ' ' SD ' ' A' ' 42' ' ' MET . 0.6 OUTLIER -106.88 132.66 20.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -4.9 16.09 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.575 1.829 . . . . 0.0 110.98 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.88 -17.26 20.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.065 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.1 t -106.24 -47.04 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.816 HD11 ' CD1' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -116.87 152.13 18.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.439 ' N ' HG12 ' A' ' 105' ' ' ILE . 60.6 p -116.71 160.76 20.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.05 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.475 ' CG ' ' HG3' ' A' ' 145' ' ' GLN . 5.7 m-85 -70.62 -31.21 68.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.104 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 109' ' ' GLN . 9.0 pt-20 -63.06 -41.53 99.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.433 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 3.2 pt20 -75.95 -34.92 59.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.344 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.816 ' CD1' HD11 ' A' ' 105' ' ' ILE . 13.1 mt -60.86 -48.74 80.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.17 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.515 ' HB3' ' CE2' ' A' ' 115' ' ' TRP . 5.7 mt -68.4 -33.4 74.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.545 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 0.4 OUTLIER -53.8 -49.87 67.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.257 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.477 ' CG1' HD11 ' A' ' 58' ' ' LEU . 3.1 t -73.18 -33.33 41.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 118' ' ' HIS . 9.8 t80 -58.74 -49.08 78.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 152' ' ' SER . 3.2 m0 -62.71 -20.91 65.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 108.009 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -80.24 -36.41 34.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.488 ' ND2' HD13 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -95.53 -3.19 47.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.487 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 24.6 t-80 -77.37 165.18 24.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.562 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.487 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 12.9 t70 -107.91 143.92 28.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 160.06 40.74 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.429 1.752 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.89 127.02 33.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -110.03 -23.92 11.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.11 29.79 56.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -39.69 156.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 0.778 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -114.47 178.4 4.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.34 136.36 36.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 99.26 67.18 0.86 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.535 1.147 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -172.94 -170.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 0.718 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -50.51 116.57 1.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -64.92 139.79 58.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.405 1.066 . . . . 0.0 109.632 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -156.55 30.24 0.56 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 10.2 p -84.86 -0.68 54.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 0.732 . . . . 0.0 110.424 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -79.5 -44.22 21.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.598 1.186 . . . . 0.0 110.327 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.469 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 40.4 p90 -117.62 127.17 53.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.13 167.36 20.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.467 ' CB ' ' CD2' ' A' ' 118' ' ' HIS . 17.7 p -94.53 98.74 11.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 110.055 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.407 ' HB3' ' CE1' ' A' ' 139' ' ' TYR . . . -129.93 160.06 34.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.798 HG22 ' HD3' ' A' ' 140' ' ' PRO . 42.0 mt -126.86 131.0 71.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.422 1.077 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.537 ' N ' ' CD1' ' A' ' 139' ' ' TYR . 3.5 m-85 -128.35 77.96 76.31 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.798 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.4 Cg_endo -74.94 166.68 28.72 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 176' ' ' ALA . 0.1 OUTLIER -110.63 -59.09 2.0 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 66.4 p -62.22 160.92 28.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -34.75 3.53 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -68.06 -49.85 58.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.346 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.475 ' HG3' ' CG ' ' A' ' 107' ' ' TYR . 12.9 tt0 -55.4 -39.7 70.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.35 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -54.09 46.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.09 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.726 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -60.91 -31.79 71.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.18 -50.56 26.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.593 ' HB1' HG21 ' A' ' 138' ' ' ILE . . . -56.55 -57.08 13.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.473 ' CG ' ' HA ' ' A' ' 147' ' ' ALA . 1.1 ppt_? -60.68 -31.67 70.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -61.9 -39.27 91.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 4.3 p -72.56 -32.32 65.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.978 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.559 HD23 ' O ' ' A' ' 153' ' ' LEU . 2.7 tt -63.92 -49.08 74.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -69.77 -20.65 63.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -81.22 -54.39 5.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -60.14 -39.69 87.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 160' ' ' MET . 0.3 OUTLIER -62.8 -44.28 96.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.15 -32.54 69.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.9 -48.74 79.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.519 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 7.1 ptm -68.1 -32.16 72.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.519 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -64.34 -35.73 81.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.38 -23.06 66.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -92.36 12.3 23.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 5.2 t0 57.9 34.8 24.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.73 121.45 39.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -88.41 13.02 12.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.51 69.68 9.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -66.41 137.19 56.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.31 138.43 21.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 2.1 t -95.49 43.33 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.3 m -80.91 125.54 30.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 110.421 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -112.37 136.65 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.252 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 19.9 mt -117.71 123.3 71.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.071 . . . . 0.0 109.276 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -144.88 163.25 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 109.34 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -47.58 163.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.237 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.507 ' HB1' HD12 ' A' ' 46' ' ' ILE . . . -84.71 83.43 8.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 54.5 p -60.67 160.79 17.28 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.377 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 93.64 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.468 1.772 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -80.48 145.44 31.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.953 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -100.46 125.2 46.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 111.047 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.512 ' CB ' HG21 ' A' ' 24' ' ' VAL . 82.4 m-85 -47.26 172.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -118.11 172.02 7.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.579 1.174 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.55 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 4.1 tt0 -43.91 141.65 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -61.42 -23.24 65.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.17 -44.67 71.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 186' ' ' HIS . . . . . 0.55 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 43.2 m-70 -76.25 -32.55 58.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.615 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 0.645 ' C ' ' HG2' ' A' ' 188' ' ' GLN . 27.7 mm-40 -45.89 111.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.881 ' OE1' ' HB3' ' A' ' 29' ' ' ALA . 5.1 pt20 37.5 60.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.332 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.734 ' CD1' ' CH2' ' A' ' 53' ' ' TRP . 46.3 t80 -85.48 -24.48 27.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.938 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -63.26 -46.59 86.13 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.507 ' CG ' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -58.91 -28.63 66.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.604 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.44 -28.76 59.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.575 ' HB3' ' CD2' ' A' ' 195' ' ' TYR . 5.9 m120 -127.91 102.49 22.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.405 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -1.89 11.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.544 1.812 . . . . 0.0 111.06 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 195' ' ' TYR . . . . . 0.575 ' CD2' ' HB3' ' A' ' 193' ' ' ASN . 1.0 OUTLIER -94.96 -8.42 37.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 196' ' ' GLY . . . . . 0.557 ' O ' HD11 ' A' ' 190' ' ' LEU . . . -82.0 91.12 1.49 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.83 149.72 43.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 1.151 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 7.0 t -83.9 -66.0 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 108.321 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 89.95 56.41 1.84 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 30.7 mt -79.35 -62.24 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 0.753 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 57.46 167.17 0.1 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -138.89 150.37 21.15 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 2.5 tt -86.87 142.3 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.303 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -99.92 -73.3 1.06 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.445 1.091 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 10.8 m -92.05 131.65 38.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.753 . . . . 0.0 109.254 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 64.6 p -121.26 174.78 6.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.943 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 33.0 mt -70.21 157.05 90.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 169.63 22.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.465 1.771 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 178.16 7.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -153.89 133.6 12.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.73 158.46 28.28 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.585 1.178 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -82.33 134.59 35.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.08 130.37 48.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -77.13 156.96 31.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.66 167.29 10.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.52 129.77 39.58 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.526 1.141 . . . . 0.0 109.606 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.735 HD22 ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -154.79 -179.78 8.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.735 ' O ' HD22 ' A' ' 8' ' ' LEU . 7.7 p -53.54 144.78 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.94 168.88 6.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -33.72 4.33 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.13 -26.22 68.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.418 ' HB3' ' CG2' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -95.41 -35.82 11.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.53 145.79 17.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -99.76 153.48 37.75 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.22 2.67 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.516 1.798 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.429 ' CA ' HG23 ' A' ' 77' ' ' THR . . . -58.18 -167.64 0.14 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.439 1.087 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.55 166.26 18.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 0.738 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -95.29 31.27 1.98 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.0 m -120.82 99.34 47.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 151.83 39.84 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.501 1.79 . . . . 0.0 111.043 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 10.6 tpp -70.98 133.95 85.8 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.434 1.084 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 130.81 13.66 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.473 1.775 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.821 HG21 ' HB3' ' A' ' 181' ' ' TYR . 21.4 t -129.79 140.37 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.15 163.45 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 m -76.94 -31.28 56.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.399 1.062 . . . . 0.0 110.372 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.42 ' CB ' ' C ' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -136.85 154.12 50.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.576 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 11.8 t-80 -50.41 157.03 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.174 . . . . 0.0 109.592 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.663 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -85.52 -31.34 22.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.828 HG11 ' CD2' ' A' ' 60' ' ' TRP . 31.8 t -84.76 -69.25 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 66' ' ' TYR . 2.1 t-20 -55.19 -40.35 70.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.27 23.04 66.57 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.47 ' CG ' ' N ' ' A' ' 34' ' ' SER . 1.2 t-80 -129.68 162.09 29.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.733 . . . . 0.0 109.646 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.47 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 48.9 m -47.59 139.97 6.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.033 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.5 mtp -98.31 -65.15 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 110.966 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.2 t -49.99 -22.69 1.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.415 ' HB2' ' CB ' ' A' ' 34' ' ' SER . 20.0 m-20 -75.67 129.99 38.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.252 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.676 HG21 HD11 ' A' ' 44' ' ' ILE . 24.6 t -130.63 105.28 15.7 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.239 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 143.82 29.46 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.437 1.756 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.81 133.12 47.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.54 -7.37 32.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.0 mtt -115.04 164.72 13.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 110.951 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.18 167.74 20.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 110.297 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.77 ' CG1' HG22 ' A' ' 99' ' ' VAL . 3.2 mp -118.77 147.85 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -125.36 128.89 48.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.619 1.199 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.516 HG22 ' CD2' ' A' ' 139' ' ' TYR . 26.1 mt -122.72 123.98 69.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.465 ' HE1' HD13 ' A' ' 98' ' ' ILE . 1.5 p90 -156.96 161.92 39.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.79 140.77 52.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.484 ' HE1' ' HB3' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -146.4 165.9 27.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.956 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -36.84 -72.29 0.16 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.564 1.165 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.64 -179.31 6.37 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.462 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 2.6 p90 -145.8 -44.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.824 ' HB3' HD23 ' A' ' 190' ' ' LEU . 17.0 m0 -67.58 -43.29 80.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 108.02 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.72 -37.7 25.83 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.882 ' HA ' HD23 ' A' ' 58' ' ' LEU . 39.2 t -52.36 -57.12 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.445 0.733 . . . . 0.0 109.281 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 14.7 pt-20 -63.44 -41.37 98.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.679 ' HE ' HD12 ' A' ' 190' ' ' LEU . 2.0 tmm_? -61.42 -34.69 75.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.882 HD23 ' HA ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -75.36 -20.23 59.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.772 ' HD1' HG21 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -78.76 -59.71 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.828 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -56.21 -51.43 68.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 108.022 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.583 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 1.6 mm-40 -48.57 -22.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 0.3 OUTLIER -76.63 137.75 66.9 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.5 Cg_endo -74.93 111.68 3.38 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.578 1.831 . . . . 0.0 111.043 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.15 -10.43 5.36 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.14 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.772 HG21 ' HD1' ' A' ' 59' ' ' PHE . 74.6 t -95.26 134.92 30.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 0.748 . . . . 0.0 109.363 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.456 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.5 OUTLIER -85.22 -57.38 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 111.044 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.0 m -150.94 166.89 29.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.914 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.485 ' H ' ' CD2' ' A' ' 28' ' ' HIS . 30.7 p -140.32 136.69 33.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.431 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.499 ' HB3' ' CG ' ' A' ' 97' ' ' ARG . . . -121.96 144.01 49.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.704 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -111.1 139.97 46.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.705 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -172.13 -155.94 11.71 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.577 1.173 . . . . 0.0 111.011 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.489 ' CD1' ' HG2' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -147.07 168.02 22.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 110.968 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.9 t -173.17 168.63 4.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.457 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.63 -19.62 51.65 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.542 1.151 . . . . 0.0 111.038 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.57 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -76.18 -171.79 32.86 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.501 ' HB2' HD21 ' A' ' 8' ' ' LEU . 44.2 t80 -115.13 -28.96 6.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.429 HG23 ' CA ' ' A' ' 17' ' ' GLY . 6.7 m -74.64 120.81 83.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 143.76 29.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.541 1.811 . . . . 0.0 110.959 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.435 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 34.2 m120 47.52 63.39 10.28 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.568 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.03 170.21 20.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.529 1.805 . . . . 0.0 111.005 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.835 ' O ' HG23 ' A' ' 85' ' ' VAL . 56.9 m -117.2 163.0 16.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.632 ' CE1' ' CE1' ' A' ' 186' ' ' HIS . 36.8 t80 -61.96 -46.86 87.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.996 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -35.57 79.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -69.26 -45.23 70.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 81' ' ' THR . 72.6 t -57.99 -43.04 84.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.95 -32.2 65.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.21 -39.95 73.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.149 . . . . 0.0 109.938 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.43 6.86 70.2 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.24 -0.61 46.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.1 p -89.1 -23.65 22.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.415 ' HA3' HG12 ' A' ' 9' ' ' VAL . . . 67.35 11.0 58.57 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.57 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 48.4 m-70 -85.81 147.5 26.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.642 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -116.2 153.16 32.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -69.95 111.44 5.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 71' ' ' GLY . . . -131.88 156.68 45.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.704 HG12 ' HA ' ' A' ' 70' ' ' ALA . 34.8 m -143.92 140.13 25.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.499 ' CG ' ' HB3' ' A' ' 69' ' ' ALA . 10.4 ptm180 -109.55 124.65 51.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.323 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.668 HG21 ' CD1' ' A' ' 59' ' ' PHE . 3.3 mp -116.28 134.44 59.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.363 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.77 HG22 ' CG1' ' A' ' 44' ' ' ILE . 61.3 t -108.59 106.13 20.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.458 ' HE2' ' HB2' ' A' ' 45' ' ' ALA . 42.5 p90 -121.83 178.79 4.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.84 125.94 31.95 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.5 Cg_endo -74.94 -3.72 14.34 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.12 -21.51 17.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.0 t -104.59 -33.24 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.771 HD13 ' N ' ' A' ' 106' ' ' SER . 0.2 OUTLIER -145.5 131.91 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.157 . . . . 0.0 109.272 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.771 ' N ' HD13 ' A' ' 105' ' ' ILE . 9.9 p -92.21 161.37 14.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.045 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.625 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 2.3 p90 -68.8 -32.99 73.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.961 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.625 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -57.0 -47.62 80.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.516 ' HB2' HD11 ' A' ' 105' ' ' ILE . 51.5 mt-30 -59.84 -32.55 70.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.6 mt -73.98 -31.55 63.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.69 -49.86 74.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.487 ' HG3' ' N ' ' A' ' 113' ' ' VAL . 0.1 OUTLIER -64.01 -34.2 77.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.487 ' N ' ' HG3' ' A' ' 112' ' ' GLN . 2.2 t -61.44 -52.4 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 118' ' ' HIS . 16.1 m-30 -55.61 -48.73 74.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.522 ' HB3' ' CE1' ' A' ' 156' ' ' PHE . 63.5 m95 -64.26 -15.49 60.23 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.14 -32.5 17.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.484 ' HB3' ' HE1' ' A' ' 49' ' ' MET . 27.1 t-20 -98.76 0.05 43.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -77.74 164.43 25.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.614 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.527 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 0.2 OUTLIER -113.44 152.53 45.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 160.77 39.58 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.531 1.806 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.62 133.42 34.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -111.93 -24.97 9.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.262 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 124' ' ' MET . . . 83.73 30.47 29.41 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.46 1.1 . . . . 0.0 111.044 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 123' ' ' GLY . 0.3 OUTLIER -34.13 -60.17 0.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 0.726 . . . . 0.0 110.913 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.67 159.87 19.33 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.512 1.132 . . . . 0.0 110.357 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.99 118.02 20.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.348 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 39.7 65.0 0.94 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.1 . . . . 0.0 110.998 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -142.36 -59.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -159.1 98.07 1.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -148.28 106.25 3.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.581 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -131.41 36.32 2.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.456 1.098 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.602 ' O ' ' CE1' ' A' ' 134' ' ' TYR . 7.1 p -79.79 -12.11 59.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 0.809 . . . . 0.0 110.47 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.604 ' HG2' HG12 ' A' ' 85' ' ' VAL . 2.8 mp0 60.96 35.27 19.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 132' ' ' THR . 8.3 m-85 -128.96 126.24 39.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -145.42 108.86 4.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.616 1.197 . . . . 0.0 110.302 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.65 98.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.032 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -135.91 164.42 28.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.372 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.787 HG22 ' HD3' ' A' ' 140' ' ' PRO . 81.3 mt -124.01 135.09 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.516 ' CD2' HG22 ' A' ' 46' ' ' ILE . 33.5 m-85 -130.42 77.38 76.12 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.983 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.2 Cg_endo -74.91 168.14 25.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.557 1.819 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 141' ' ' LEU . 4.0 mm? -101.18 -46.1 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 4.9 p -87.96 161.26 44.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -35.33 3.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.41 -36.32 71.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.517 ' HG2' ' CG ' ' A' ' 107' ' ' TYR . 34.3 mt-30 -73.84 -39.7 63.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.59 -42.91 77.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.407 1.067 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -68.22 -34.8 76.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.478 ' O ' ' HB3' ' A' ' 151' ' ' ALA . . . -75.62 -41.25 54.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.393 1.058 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.8 -59.2 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.259 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.493 ' HG3' ' N ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -55.86 -27.09 50.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.493 ' N ' ' HG3' ' A' ' 150' ' ' ARG . . . -70.59 -45.54 65.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 79.8 p -69.44 -43.3 73.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.037 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 153' ' ' LEU . 3.9 tt -59.12 -51.07 71.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -60.06 -20.87 60.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.95 -58.61 2.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.226 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 115' ' ' TRP . 4.5 t80 -53.19 -38.09 62.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 160' ' ' MET . 5.3 tt0 -64.11 -48.42 76.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.286 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.6 -30.27 65.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.315 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.27 -48.25 78.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.59 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 6.9 ptm -67.16 -31.03 71.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.937 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.59 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -65.75 -35.79 81.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.03 -18.03 63.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 160' ' ' MET . . . -77.56 -4.1 44.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.1 t70 79.38 32.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -109.14 123.98 50.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 168' ' ' HIS . 0.3 OUTLIER -77.32 -38.54 50.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.16 82.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 166' ' ' ASP . 9.5 p80 -73.41 147.68 44.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.568 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.29 127.06 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' THR . . . . . 0.572 ' O ' HG22 ' A' ' 170' ' ' THR . 20.8 m -91.06 49.67 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.454 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 95.0 m -85.71 132.17 34.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.357 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -122.07 140.92 51.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.238 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 13.5 mt -114.17 122.33 68.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -129.7 166.51 19.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -53.38 165.1 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.983 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -81.46 84.9 6.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 177' ' ' THR . . . . . 0.435 ' H ' HG23 ' A' ' 177' ' ' THR . 18.4 p -65.32 164.82 21.02 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 115.89 4.42 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.539 1.81 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.566 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -77.88 143.18 37.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -119.38 107.56 13.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 110.954 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.821 ' HB3' HG21 ' A' ' 24' ' ' VAL . 28.9 m-85 -38.14 157.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.705 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -118.6 174.9 5.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.551 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 1.4 tp10 -37.76 130.93 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -52.94 -23.28 6.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.85 -43.64 83.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 186' ' ' HIS . . . . . 0.632 ' CE1' ' CE1' ' A' ' 82' ' ' TYR . 89.3 m-70 -62.52 -33.51 75.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.633 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -52.74 110.59 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 110.302 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.663 ' OE1' ' HB3' ' A' ' 29' ' ' ALA . 3.4 mp0 50.24 58.91 4.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.747 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 7.0 t80 -85.45 -25.66 26.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.824 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -76.43 -46.79 25.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.32 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -31.66 65.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.589 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -65.98 -35.67 81.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -140.08 105.33 6.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -4.38 15.33 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.555 1.818 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -98.04 27.45 4.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.591 1.182 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -120.66 45.12 1.27 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -63.83 132.4 50.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 0.722 . . . . 0.0 111.037 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 2.8 m -74.11 -68.52 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 108.335 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 199' ' ' GLY . . . . . 0.437 ' CA ' HD12 ' A' ' 203' ' ' ILE . . . 139.76 114.16 1.15 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 78.1 mt -136.5 -49.83 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -79.09 74.79 2.14 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.588 1.18 . . . . 0.0 111.041 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 42.7 86.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 203' ' ' ILE . . . . . 0.437 HD12 ' CA ' ' A' ' 199' ' ' GLY . 16.5 tt -86.37 142.01 13.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.603 0.825 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -72.34 -94.21 0.09 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.13 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 74.2 t -129.9 -64.77 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.57 0.806 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.13 154.45 25.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 8.0 mt -78.07 130.64 71.93 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 114.6 4.06 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.541 1.811 . . . . 0.0 111.047 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 178.56 7.09 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.454 1.765 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -120.57 149.46 42.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.251 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.9 104.33 8.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -157.01 142.64 17.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -159.18 126.96 4.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -146.24 97.09 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.22 115.46 6.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.43 134.15 18.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.617 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 tp -70.16 123.85 22.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.222 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.7 p -100.06 147.88 7.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.52 170.07 17.9 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.038 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.629 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.94 -39.09 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.67 -32.76 58.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.235 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.01 -39.41 79.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.21 102.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.49 153.28 38.05 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 105.89 2.17 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.511 1.795 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.21 -37.79 31.25 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.436 1.085 . . . . 0.0 111.003 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.94 149.67 43.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -108.08 -32.73 7.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.0 p -95.23 144.72 28.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.095 . . . . 0.0 110.364 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 150.37 38.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -70.61 142.65 89.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 140.13 24.94 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.667 HG21 ' CB ' ' A' ' 181' ' ' TYR . 85.8 t -134.74 140.5 45.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.81 164.69 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.511 HG22 HD13 ' A' ' 27' ' ' LEU . 7.3 m -91.94 -44.52 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.437 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.597 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -110.6 137.76 47.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.582 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 17.6 t-80 -52.67 156.53 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.584 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.513 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -86.1 -24.57 26.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.061 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 1.052 HG11 ' CD2' ' A' ' 60' ' ' TRP . 41.4 t -95.27 -69.27 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.1 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 0.5 OUTLIER -56.2 -39.89 73.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 78.06 18.49 76.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.433 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -118.79 171.33 8.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.559 0.799 . . . . 0.0 109.613 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.434 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -38.73 149.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.968 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' THR . 27.1 mmm -98.58 -64.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.2 t -77.84 -32.67 52.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.409 1.068 . . . . 0.0 110.431 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.434 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.3 OUTLIER -61.85 128.99 38.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 1.108 HG21 HD11 ' A' ' 44' ' ' ILE . 72.0 t -127.54 113.58 21.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 109.327 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 139.78 24.85 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.557 1.819 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -43.66 128.39 5.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.33 -10.62 31.05 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.493 1.12 . . . . 0.0 110.952 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.581 ' HB3' HG13 ' A' ' 38' ' ' VAL . 31.7 tpp -104.72 147.35 27.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.762 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -128.49 158.98 36.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 1.108 HD11 HG21 ' A' ' 38' ' ' VAL . 3.4 mt -114.63 157.52 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.606 ' HB3' HG22 ' A' ' 98' ' ' ILE . . . -150.61 135.21 17.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.579 HD12 ' HB1' ' A' ' 176' ' ' ALA . 37.8 mt -103.99 131.65 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.55 ' HE1' ' HB1' ' A' ' 45' ' ' ALA . 30.2 m-85 -143.72 149.53 37.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -132.64 120.25 21.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.596 ' SD ' ' CZ ' ' A' ' 114' ' ' PHE . 0.2 OUTLIER -129.61 -172.25 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -63.34 -70.85 0.95 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.517 1.135 . . . . 0.0 110.983 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.5 m -63.71 178.22 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.484 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -129.04 -63.65 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.591 ' CE3' ' CD1' ' A' ' 189' ' ' TYR . 2.0 m0 -73.87 -36.86 64.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 108.021 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.1 -45.57 91.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.839 ' HA ' HD23 ' A' ' 58' ' ' LEU . 89.7 t -54.2 -62.48 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.773 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.79 -35.14 77.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 110.247 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.516 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 2.3 ttt-85 -65.69 -30.91 71.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.839 HD23 ' HA ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -76.99 -20.47 56.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.828 ' CZ ' HG23 ' A' ' 98' ' ' ILE . 14.8 t80 -83.93 -58.3 2.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 1.052 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -53.9 -51.46 63.64 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.535 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 3.3 mm-40 -53.55 -18.41 2.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.454 HD23 ' N ' ' A' ' 63' ' ' PRO . 7.3 tt -84.61 137.11 38.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.454 ' N ' HD23 ' A' ' 62' ' ' LEU . 18.3 Cg_endo -74.97 107.91 2.59 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.434 1.755 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.426 ' HA3' ' HB ' ' A' ' 105' ' ' ILE . . . 141.03 -12.04 2.84 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.601 1.188 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.679 HG22 ' CE2' ' A' ' 59' ' ' PHE . 77.2 t -87.38 135.21 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.555 ' CD1' ' HE1' ' A' ' 42' ' ' MET . 3.1 t80 -89.31 -46.13 8.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 1.082 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.3 p -159.66 168.02 27.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.063 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.479 ' H ' ' CD2' ' A' ' 28' ' ' HIS . 10.6 p -149.0 140.45 23.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.396 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.7 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . . . -137.27 159.97 40.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.611 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -123.09 139.62 53.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -162.7 -165.79 20.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.411 ' O ' ' HB ' ' A' ' 73' ' ' THR . 16.6 m-85 -130.73 159.41 37.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.426 HG22 ' CB ' ' A' ' 95' ' ' ALA . 7.7 t -175.75 165.62 3.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.387 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.31 -17.55 56.73 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.535 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -88.65 -174.38 47.08 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.629 ' CD2' ' HA ' ' A' ' 11' ' ' PRO . 14.1 m-85 -113.61 -21.45 10.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.443 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 1.4 m -75.3 117.7 65.14 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 110.354 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 147.53 33.8 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.526 1.803 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.43 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 81.6 m-20 45.56 63.95 8.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.2 Cg_endo -74.98 164.16 33.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.0 m -113.29 153.33 28.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.422 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -53.86 -43.87 69.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.11 -42.64 75.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.37 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -65.58 -44.23 87.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.264 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.7 t -59.09 -38.0 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.339 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.3 p -70.89 -32.08 68.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.069 . . . . 0.0 110.05 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 73.5 m -62.19 -37.67 86.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.99 12.72 61.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.591 1.182 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.52 9.16 35.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.3 p -113.17 -25.15 9.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.428 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.26 22.39 72.73 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.562 1.164 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.535 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 23.6 m-70 -91.17 156.38 17.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 0.761 . . . . 0.0 109.613 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -115.6 153.54 31.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.409 ' OE1' ' O ' ' A' ' 49' ' ' MET . 0.0 OUTLIER -77.6 109.95 12.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.426 ' CB ' HG22 ' A' ' 73' ' ' THR . . . -123.32 163.22 21.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.611 HG12 ' HA ' ' A' ' 70' ' ' ALA . 19.2 m -140.67 160.4 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.071 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.7 ' HB3' ' HB3' ' A' ' 69' ' ' ALA . 24.8 ttp180 -99.63 127.77 45.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.828 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 0.8 OUTLIER -115.65 117.87 56.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.367 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 66' ' ' TYR . 15.4 t -119.97 106.15 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.492 ' CD2' HD11 ' A' ' 110' ' ' LEU . 47.4 p90 -133.68 173.96 10.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.474 ' C ' ' H ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -117.23 130.07 24.89 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.0 Cg_endo -75.03 18.43 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.474 ' H ' ' C ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -103.96 -29.19 11.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.997 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 68.8 t -109.56 -30.17 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.256 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.521 HD13 ' H ' ' A' ' 106' ' ' SER . 0.1 OUTLIER -145.65 130.84 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.521 ' H ' HD13 ' A' ' 105' ' ' ILE . 1.4 p -86.68 164.32 16.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.616 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 36.0 p90 -71.36 -45.47 62.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.616 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 3.4 pt-20 -52.57 -29.36 25.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.07 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.496 ' HB2' ' CD1' ' A' ' 105' ' ' ILE . 40.8 mt-30 -71.46 -42.08 68.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.492 HD11 ' CD2' ' A' ' 100' ' ' TYR . 38.2 mt -52.59 -52.89 53.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.242 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 108' ' ' GLU . 2.6 mt -52.82 -42.14 64.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.75 -49.47 65.42 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.564 ' CG1' HD11 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -69.85 -48.39 64.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.596 ' CZ ' ' SD ' ' A' ' 49' ' ' MET . 3.5 t80 -53.94 -48.96 69.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.507 ' HH2' HG21 ' A' ' 171' ' ' THR . 42.6 m95 -64.68 -21.83 66.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.044 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -83.91 -35.99 23.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -92.85 2.03 56.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.58 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -75.53 168.19 20.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.615 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.58 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 19.2 m-20 -109.91 151.23 42.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 158.71 42.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 167' ' ' ARG . . . -87.08 142.21 28.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -129.58 46.89 2.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.366 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 78.44 27.96 56.41 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -47.05 103.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.767 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.72 177.11 7.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -94.76 134.04 37.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 144.91 -64.2 0.46 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -150.17 79.87 1.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -85.14 173.17 10.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.242 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -77.73 -38.3 47.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.562 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -173.03 103.61 0.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 42.5 p -78.44 -22.96 46.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 0.783 . . . . 0.0 110.446 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -48.49 -37.76 18.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 0.0 110.27 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' TYR . . . . . 0.489 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 35.2 p90 -121.01 127.78 52.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -141.58 150.17 41.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.212 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.43 92.32 7.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.041 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -127.37 159.25 35.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 14.0 mt -120.57 135.26 61.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.371 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -129.9 77.79 76.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 161.9 37.84 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.49 1.784 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.671 HD12 ' HB3' ' A' ' 176' ' ' ALA . 10.9 tp -109.51 -54.94 2.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.1 p -69.97 161.26 76.45 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.122 . . . . 0.0 110.411 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -41.0 0.73 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.511 1.795 . . . . 0.0 111.054 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -61.77 -34.06 75.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.365 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -70.77 -41.82 71.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -40.84 97.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.518 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -69.25 -38.72 78.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.43 -45.81 65.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.48 -56.54 19.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.21 -31.36 72.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -64.28 -39.08 93.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 22.1 p -73.94 -36.59 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.02 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.894 HD11 HG23 ' A' ' 171' ' ' THR . 4.6 tt -59.45 -52.4 65.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -57.67 -32.8 67.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -35.8 46.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.441 ' CE2' ' CE3' ' A' ' 115' ' ' TRP . 22.5 t80 -70.4 -52.22 23.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -63.24 -35.71 81.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.0 -43.75 82.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.51 -44.75 86.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.586 1.179 . . . . 0.0 109.353 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' MET . . . . . 0.428 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 7.1 ttp -60.16 -47.83 84.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.497 HD22 ' O ' ' A' ' 165' ' ' ASP . 0.1 OUTLIER -64.08 -34.97 79.25 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.77 -18.86 63.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.592 1.183 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -83.53 -6.54 59.48 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.401 1.063 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 1.1 t70 81.97 30.4 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' ASP . . . . . 0.497 ' O ' HD22 ' A' ' 161' ' ' LEU . 57.7 m-20 -103.06 122.69 45.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.36 12.67 15.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.414 1.072 . . . . 0.0 109.365 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 167' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 0.7 OUTLIER -87.07 72.7 9.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 0.0 110.345 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.82 134.26 54.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.562 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.2 mp -75.08 139.37 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 78.9 m -97.59 35.57 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.395 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.894 HG23 HD11 ' A' ' 153' ' ' LEU . 2.6 t -78.39 132.71 37.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.448 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -118.86 140.5 49.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.286 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 76.4 mt -108.74 122.67 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -134.99 167.11 21.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 175' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 177' ' ' THR . 9.0 p-10 -60.61 150.6 31.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 176' ' ' ALA . . . . . 0.671 ' HB3' HD12 ' A' ' 141' ' ' LEU . . . -65.72 75.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 177' ' ' THR . . . . . 0.531 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -61.74 160.29 28.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 108.5 2.73 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 1.3 p90 -93.99 144.68 25.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 180' ' ' TYR . . . . . 0.407 ' O ' ' O ' ' A' ' 181' ' ' TYR . 20.2 m-85 -93.3 119.23 32.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.45 1.094 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 181' ' ' TYR . . . . . 0.667 ' CB ' HG21 ' A' ' 24' ' ' VAL . 77.8 m-85 -46.68 174.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.972 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -126.78 170.33 12.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 182' ' ' ALA . 1.9 mm-40 -38.1 132.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -52.86 -22.86 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.92 -45.01 87.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -60.8 -46.18 91.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.525 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 0.54 ' OE1' ' HB3' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -52.6 115.43 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 188' ' ' GLN . . . . . 0.582 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 4.9 mp0 53.37 54.65 9.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 189' ' ' TYR . . . . . 0.591 ' CD1' ' CE3' ' A' ' 53' ' ' TRP . 29.3 t80 -85.48 -28.27 25.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.418 ' HB3' ' CD ' ' A' ' 57' ' ' ARG . 0.6 OUTLIER -76.85 -46.47 24.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.249 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 191' ' ' HIS . . . . . 0.4 ' CD2' ' HB3' ' A' ' 188' ' ' GLN . 0.0 OUTLIER -56.4 -28.68 60.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.113 . . . . 0.0 109.519 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -40.55 96.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -140.39 119.97 8.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.97 8.27 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.414 1.744 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -96.95 29.52 3.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -126.11 46.12 1.11 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -75.84 110.09 9.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 110.961 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 17.5 p -80.48 142.26 34.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 108.273 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -90.92 105.62 3.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 200' ' ' ILE . . . . . 0.417 HG23 ' OD1' ' A' ' 119' ' ' ASP . 37.5 mt -88.84 135.58 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 0.794 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 120.45 -54.0 0.67 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -58.43 -154.86 0.01 OUTLIER Glycine 0 CA--C 1.531 1.058 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.3 tt -58.81 -47.11 90.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.656 0.857 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 142.14 -136.36 7.22 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.466 1.104 . . . . 0.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 81.4 t -101.8 -25.48 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.756 . . . . 0.0 109.265 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 19.1 m -80.09 96.59 6.54 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 22.8 mt -96.46 150.39 37.02 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 123.64 8.01 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 177.4 8.63 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.517 1.798 . . . . 0.0 110.958 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.11 -51.84 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 110.317 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.082 . . . . 0.0 109.287 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.922 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.66 146.33 93.51 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 134.66 18.05 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.52 1.8 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.81 HG21 ' HB3' ' A' ' 181' ' ' TYR . 13.2 t -131.69 132.78 62.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 156.7 6.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 35' ' ' MET . 55.3 m -81.52 -45.2 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 34' ' ' SER . 0.4 OUTLIER -98.67 138.95 35.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.553 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 22.7 t-80 -55.13 157.51 3.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.588 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.814 ' HB3' ' CD ' ' A' ' 188' ' ' GLN . . . -84.0 -27.36 28.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.963 HG11 ' CD2' ' A' ' 60' ' ' TRP . 54.9 t -95.55 -67.58 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -54.75 -38.99 67.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.9 15.28 81.78 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.85 171.0 8.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 109.574 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.423 ' N ' HD12 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -39.25 140.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.458 ' O ' ' NH2' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -93.51 -51.55 4.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 110.961 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -85.1 -46.31 11.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.395 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.89 126.45 24.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 1.081 HG21 HD11 ' A' ' 44' ' ' ILE . 6.4 t -118.96 117.23 33.8 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 146.26 32.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.57 131.62 43.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.36 1.3 37.97 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.443 ' HB2' HG13 ' A' ' 38' ' ' VAL . 79.2 mmm -114.68 160.66 19.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 0.735 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.6 157.46 46.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 1.081 HD11 HG21 ' A' ' 38' ' ' VAL . 2.3 mp -113.41 156.99 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -154.63 130.87 10.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.7 mt -104.61 138.88 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.493 ' CE2' HG23 ' A' ' 138' ' ' ILE . 34.7 m-85 -153.65 144.17 22.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -125.06 127.64 47.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.42 179.76 5.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.75 -79.99 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.87 178.34 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER -136.38 -49.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.631 ' CZ3' ' CE1' ' A' ' 189' ' ' TYR . 25.0 m0 -72.78 -37.06 67.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 107.999 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.484 ' O ' ' CB ' ' A' ' 58' ' ' LEU . . . -79.19 -28.65 52.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.3 t -73.49 -50.8 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 11.3 pt-20 -55.69 -52.15 64.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -68.76 -23.84 64.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.484 ' CB ' ' O ' ' A' ' 54' ' ' GLY . 2.6 tp -66.39 -28.33 68.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.541 ' CG ' HG12 ' A' ' 98' ' ' ILE . 23.6 m-85 -78.45 -52.26 8.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.963 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -61.88 -55.92 24.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 108.0 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.518 ' N ' ' CG ' ' A' ' 60' ' ' TRP . 2.2 mt-30 -47.99 -23.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.707 HD11 HG21 ' A' ' 113' ' ' VAL . 6.5 tt -77.54 135.81 64.5 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.422 ' N ' HD23 ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.06 106.29 2.25 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.515 1.797 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.435 ' HA2' ' CG1' ' A' ' 104' ' ' VAL . . . 142.02 -17.84 2.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.421 HG11 ' CG2' ' A' ' 68' ' ' THR . 17.0 t -92.52 130.81 41.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 0.777 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 99' ' ' VAL . 1.6 t80 -80.66 -56.86 3.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.9 m -150.41 163.59 37.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.435 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 36.1 p -148.8 167.0 26.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.399 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.11 153.44 32.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.894 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -106.8 140.2 40.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.442 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -167.94 -168.02 29.44 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -132.77 164.82 25.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 0.804 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.52 HG22 ' HB3' ' A' ' 95' ' ' ALA . 1.3 t -170.2 171.17 6.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.457 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.406 ' N ' ' OG1' ' A' ' 73' ' ' THR . . . 94.51 -20.17 49.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.145 . . . . 0.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.5 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -82.39 -177.56 51.96 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -114.56 -22.29 9.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.4 m -74.77 125.37 89.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 154.7 42.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.776 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.404 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 20.7 m-80 45.43 64.82 7.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.5 Cg_endo -74.95 137.75 22.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.538 1.809 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.671 ' O ' HG23 ' A' ' 85' ' ' VAL . 2.3 m -111.68 155.04 24.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -63.35 -28.77 70.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.86 -52.0 28.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -73.8 -44.61 55.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 0.0 110.333 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 81' ' ' THR . 47.2 t -53.5 -37.94 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.361 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.2 t -59.89 -23.81 63.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.7 m -71.85 -39.59 69.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.418 ' HA2' ' NE2' ' A' ' 133' ' ' GLN . . . 92.22 8.89 62.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.29 12.07 14.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.4 p -111.27 -24.54 10.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.07 6.08 63.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.5 ' CG ' ' HA3' ' A' ' 75' ' ' GLY . 31.7 m-70 -73.17 158.25 35.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 109.575 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -127.81 162.08 27.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 15.3 pt-20 -71.59 135.08 46.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.52 ' HB3' HG22 ' A' ' 73' ' ' THR . . . -161.37 150.04 15.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.894 HG12 ' HA ' ' A' ' 70' ' ' ALA . 25.4 m -138.56 155.35 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.458 ' NH2' ' O ' ' A' ' 35' ' ' MET . 50.1 ttp180 -97.49 139.41 33.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.541 HG12 ' CG ' ' A' ' 59' ' ' PHE . 4.6 mp -126.28 119.1 53.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.719 HG22 ' CG1' ' A' ' 44' ' ' ILE . 59.0 t -113.03 99.48 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.751 ' CD1' HG23 ' A' ' 105' ' ' ILE . 39.3 p90 -124.52 177.09 6.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.24 137.86 20.71 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.05 -3.04 13.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.534 1.807 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t -92.92 -19.29 21.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.435 ' CG1' ' HA2' ' A' ' 64' ' ' GLY . 92.2 t -109.67 -46.83 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.751 HG23 ' CD1' ' A' ' 100' ' ' TYR . 1.8 tp -132.83 139.52 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.6 p -107.28 166.25 10.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -59.86 -33.1 71.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -67.93 -42.81 80.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -62.84 -43.55 98.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.534 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 27.0 mt -61.54 -40.89 96.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.2 mt -64.35 -42.81 96.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.62 -47.05 73.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.707 HG21 HD11 ' A' ' 62' ' ' LEU . 2.7 t -66.49 -46.55 86.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -51.98 -52.82 47.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 44.0 m95 -62.82 -23.72 67.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 107.997 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -32.76 59.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -101.65 4.26 40.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -78.47 163.49 25.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.567 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.64 159.57 28.89 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.26 41.59 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.607 ' HB1' ' O ' ' A' ' 168' ' ' HIS . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.418 ' NE2' ' HA2' ' A' ' 88' ' ' GLY . 2.3 tp60 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -109.97 125.38 52.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -150.01 173.05 14.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 77.5 p -100.23 110.42 22.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -133.65 160.33 37.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.493 HG23 ' CE2' ' A' ' 47' ' ' PHE . 5.7 mt -120.87 126.78 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -121.91 82.12 42.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.766 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.3 Cg_endo -75.0 167.49 26.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.641 HD22 ' C ' ' A' ' 140' ' ' PRO . 2.7 mm? -115.7 -46.91 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.44 HG23 ' OE1' ' A' ' 145' ' ' GLN . 4.1 p -91.82 161.78 32.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.426 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -35.13 3.31 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -55.42 -51.19 67.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.44 ' OE1' HG23 ' A' ' 142' ' ' THR . 9.9 pt20 -70.57 -36.3 73.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.64 -48.07 75.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -72.74 -36.69 67.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' A' ' 145' ' ' GLN . . . -61.65 -48.88 78.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.36 -50.25 72.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -37.09 85.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.08 -43.51 78.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 18.4 p -70.93 -40.35 72.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.026 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.748 ' C ' HD23 ' A' ' 153' ' ' LEU . 2.7 tt -60.74 -52.49 64.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -61.91 -38.12 87.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -52.66 47.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -62.72 -40.06 96.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.452 ' O ' ' CG ' ' A' ' 160' ' ' MET . 17.7 tt0 -62.93 -44.88 94.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.38 -32.12 68.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.11 -48.66 77.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.49 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 4.7 ptm -68.03 -32.69 73.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.49 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -65.85 -38.83 89.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.48 -19.06 65.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -90.4 -9.4 47.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.6 OUTLIER 81.74 34.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.46 118.11 35.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.05 11.61 13.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.22 71.17 3.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.607 ' O ' ' HB1' ' A' ' 121' ' ' ALA . 36.4 p-80 -52.22 148.13 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.613 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.614 HD11 HD21 ' A' ' 153' ' ' LEU . 0.1 OUTLIER -69.55 142.78 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 66.5 p -94.76 2.07 55.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.44 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.477 ' CG2' HD12 ' A' ' 153' ' ' LEU . 0.6 OUTLIER -72.93 133.56 44.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.387 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -118.97 128.05 54.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.258 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . 0.419 HD12 HD13 ' A' ' 153' ' ' LEU . 16.4 mt -109.33 121.09 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.221 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -147.05 165.35 30.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -42.84 163.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -87.1 87.27 7.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 4.0 p -59.53 162.7 8.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.16 5.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.558 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -79.0 141.19 37.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . 0.4 ' O ' ' O ' ' A' ' 181' ' ' TYR . 19.8 m-85 -119.99 108.98 14.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.81 ' HB3' HG21 ' A' ' 24' ' ' VAL . 26.5 m-85 -36.89 155.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.442 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -118.32 174.79 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . 0.571 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 0.4 OUTLIER -38.35 130.44 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 110.329 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.1 -23.11 2.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.45 -33.42 60.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . 0.571 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 63.1 m-70 -69.51 -46.04 67.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 0.612 ' O ' ' HG2' ' A' ' 188' ' ' GLN . 36.7 mm-40 -44.94 122.75 3.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.814 ' CD ' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER 36.18 60.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.421 1.076 . . . . 0.0 110.309 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.631 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 10.8 t80 -84.41 -25.59 28.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -46.2 67.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -29.08 65.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.563 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -66.38 -37.36 85.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.23 107.14 7.29 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.504 1.792 . . . . 0.0 111.021 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.33 148.77 88.66 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 111.057 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 132.05 14.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.779 . . . . 0.0 111.005 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.812 HG21 ' HB3' ' A' ' 181' ' ' TYR . 5.4 t -129.48 131.55 67.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.14 160.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.738 HG22 HD13 ' A' ' 27' ' ' LEU . 1.8 m -89.4 -42.99 11.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.397 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.738 HD13 HG22 ' A' ' 26' ' ' THR . 0.2 OUTLIER -106.77 139.87 40.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.592 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 17.1 t-80 -50.04 150.57 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.637 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.423 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -80.08 -30.08 39.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 1.085 HG11 ' CE2' ' A' ' 60' ' ' TRP . 70.4 t -91.68 -66.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -54.13 -39.88 66.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.28 16.3 76.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.396 1.06 . . . . 0.0 111.005 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.505 ' CG ' ' N ' ' A' ' 34' ' ' SER . 9.8 t60 -131.12 164.12 26.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 109.617 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.505 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 78.0 p -47.2 132.1 12.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.058 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.6 ptm -98.6 -23.15 15.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 111.054 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 38' ' ' VAL . 42.4 p -78.25 -51.82 9.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 110.443 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -54.53 127.01 25.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.975 HG21 HD11 ' A' ' 44' ' ' ILE . 40.4 t -118.54 105.07 46.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 142.92 28.68 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.99 130.07 15.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.362 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.21 -15.86 30.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.543 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 0.7 OUTLIER -104.26 141.1 36.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.596 0.821 . . . . 0.0 111.003 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.69 162.4 22.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.975 HD11 HG21 ' A' ' 38' ' ' VAL . 2.7 mp -113.56 150.28 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -150.8 131.78 14.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.575 HG22 ' CD2' ' A' ' 139' ' ' TYR . 31.0 mt -102.41 138.74 25.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -149.99 148.01 28.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.512 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -128.45 130.05 47.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.766 ' HB3' HG21 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -132.53 171.16 14.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.937 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.81 -54.24 11.97 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.677 ' HB3' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -87.63 179.57 6.5 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.2 p90 -141.11 -44.91 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.98 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.693 ' HB3' HD23 ' A' ' 190' ' ' LEU . 16.5 m0 -70.74 -45.21 65.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 108.042 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 58' ' ' LEU . . . -77.52 -34.31 40.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.766 HG21 ' HB3' ' A' ' 49' ' ' MET . 69.1 t -71.7 -39.77 69.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.581 ' OE1' ' HB2' ' A' ' 70' ' ' ALA . 1.8 tt0 -64.86 -55.08 21.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.507 ' HD3' HD12 ' A' ' 190' ' ' LEU . 0.0 OUTLIER -65.53 -24.99 67.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.658 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -67.79 -38.22 83.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.524 ' CG ' HG12 ' A' ' 98' ' ' ILE . 10.5 m-85 -63.44 -50.18 70.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 1.085 ' CE2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -67.8 -54.99 14.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 108.033 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.52 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 2.8 mm-40 -48.24 -22.67 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.862 HD13 ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -72.61 140.6 81.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.862 ' HD2' HD13 ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.03 113.61 3.83 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.45 1.763 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.92 -23.95 4.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.5 t -87.95 129.53 39.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.543 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 0.2 OUTLIER -81.78 -57.44 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.554 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 3.4 m -153.37 166.8 31.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 97' ' ' ARG . 61.8 p -137.93 171.0 15.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.436 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.474 ' HB1' ' CE1' ' A' ' 181' ' ' TYR . . . -146.59 121.57 10.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.456 1.097 . . . . 0.0 109.362 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.846 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -82.94 138.09 33.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -164.41 -166.67 23.72 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.572 ' CD1' ' N ' ' A' ' 72' ' ' TYR . 0.2 OUTLIER -131.94 163.39 28.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 0.802 . . . . 0.0 111.019 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.417 ' OG1' ' CG2' ' A' ' 177' ' ' THR . 13.9 t -171.06 162.69 7.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.43 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.12 -18.85 55.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.513 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -85.91 -178.5 50.08 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -114.54 -24.49 8.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 110.96 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.94 124.98 89.83 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.421 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 155.02 42.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.767 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.4 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 1.0 OUTLIER 41.46 65.21 4.75 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.46 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.03 156.31 42.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.543 1.812 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.9 m -113.36 155.37 25.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.388 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -56.33 -48.86 75.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -66.86 -35.62 80.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 110.343 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -67.41 -42.75 82.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.371 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.5 t -62.98 -38.95 83.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.4 m -60.77 -22.46 64.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.942 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.99 -39.58 69.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.043 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.73 11.29 65.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -88.99 -4.52 58.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 0.743 . . . . 0.0 109.279 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 p -102.78 -21.8 14.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.398 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.53 10.94 51.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.513 ' CG ' ' HA3' ' A' ' 75' ' ' GLY . 31.3 m-70 -72.81 152.21 41.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 109.583 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -119.19 170.25 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.512 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 18.1 mm-40 -82.39 126.1 31.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -152.56 149.96 29.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.846 HG12 ' HA ' ' A' ' 70' ' ' ALA . 32.3 m -140.32 163.08 23.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.528 ' CG ' HG23 ' A' ' 44' ' ' ILE . 47.4 ttp180 -101.26 142.94 31.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.176 . . . . 0.0 110.243 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.524 HG12 ' CG ' ' A' ' 59' ' ' PHE . 4.8 mp -126.58 116.57 45.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.412 HG22 ' CG1' ' A' ' 44' ' ' ILE . 35.8 t -109.13 99.82 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.501 ' HD2' HG22 ' A' ' 98' ' ' ILE . 30.4 p90 -129.95 176.78 7.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.593 1.183 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.36 132.85 21.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -74.94 1.55 7.58 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.407 1.74 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.85 -28.98 16.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.6 t -97.44 -50.4 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.487 HG23 ' CD1' ' A' ' 100' ' ' TYR . 16.6 tt -115.37 161.31 14.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.4 p -124.74 147.43 48.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.065 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 26.0 p90 -49.76 -35.63 23.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.594 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 4.4 tp10 -61.7 -43.34 99.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -62.9 -47.74 81.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.407 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 41.3 mt -56.2 -47.62 78.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.386 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 108' ' ' GLU . 5.0 mt -60.43 -43.01 97.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -58.52 -53.8 54.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.732 HG21 HD11 ' A' ' 62' ' ' LEU . 3.8 t -59.05 -51.58 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.539 ' CE2' ' HG3' ' A' ' 49' ' ' MET . 5.9 t80 -55.17 -48.7 73.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.434 1.084 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.449 ' CE3' ' CE2' ' A' ' 156' ' ' PHE . 21.4 m95 -63.61 -20.82 65.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 108.043 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -83.82 -36.77 23.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -90.55 -0.44 57.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.54 169.26 15.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.655 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -112.22 155.1 44.05 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 160.03 40.74 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.583 1.833 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' ' 167' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -113.35 138.63 49.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -141.07 123.64 15.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 31.3 p -69.74 87.98 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -121.44 151.58 40.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.363 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.477 HG22 ' HD3' ' A' ' 140' ' ' PRO . 79.9 mt -115.87 131.67 67.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.575 ' CD2' HG22 ' A' ' 46' ' ' ILE . 76.9 m-85 -124.21 83.19 56.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.493 ' C ' HD22 ' A' ' 141' ' ' LEU . 18.5 Cg_endo -74.96 169.98 21.42 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.784 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.493 HD22 ' C ' ' A' ' 140' ' ' PRO . 4.2 mm? -115.66 -48.23 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 2.0 p -93.36 164.2 22.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.347 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.409 ' HA ' ' HB2' ' A' ' 146' ' ' ASP . 18.4 Cg_endo -75.03 -34.55 3.71 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 0.0 111.034 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.14 -52.25 63.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.423 ' OE1' ' HA ' ' A' ' 140' ' ' PRO . 6.4 pt20 -71.93 -34.65 69.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.25 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . 0.409 ' HB2' ' HA ' ' A' ' 143' ' ' PRO . 0.5 OUTLIER -55.53 -54.25 46.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.77 -46.5 84.96 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -55.89 -41.19 74.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.92 -53.0 63.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -66.89 -39.87 87.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.287 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.8 -35.12 65.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 156' ' ' PHE . 56.1 p -78.22 -42.9 29.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.682 ' C ' HD23 ' A' ' 153' ' ' LEU . 4.5 tt -58.71 -53.18 61.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -57.06 -30.0 63.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.087 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.79 -31.75 28.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.449 ' CE2' ' CE3' ' A' ' 115' ' ' TRP . 1.4 t80 -69.14 -54.51 14.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' A' ' 160' ' ' MET . 1.0 OUTLIER -60.24 -31.81 70.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 157' ' ' GLN . . . -71.88 -36.42 70.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -57.95 -49.33 77.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.477 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 6.9 ptm -68.28 -33.02 73.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.477 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.0 OUTLIER -63.04 -42.55 99.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.07 -22.79 67.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -83.71 -10.98 57.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.1 t70 82.21 31.95 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.409 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.35 124.38 48.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.238 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -92.31 18.95 7.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . 0.46 ' HB3' ' HB3' ' A' ' 121' ' ' ALA . 37.1 mmt180 -84.33 74.43 10.34 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -69.42 123.35 21.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.652 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.541 ' H ' HD13 ' A' ' 169' ' ' ILE . 0.2 OUTLIER -73.67 139.83 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 65.7 m -88.36 56.61 3.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.43 ' CG2' HD12 ' A' ' 153' ' ' LEU . 20.5 m -93.62 124.97 37.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.387 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.07 127.27 50.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 7.0 mt -105.89 122.51 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -143.62 167.89 21.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -48.92 165.72 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.36 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . 0.409 ' HB1' HD12 ' A' ' 46' ' ' ILE . . . -86.42 83.99 7.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . 0.417 ' CG2' ' OG1' ' A' ' 73' ' ' THR . 0.5 OUTLIER -62.57 162.48 20.16 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.355 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 109.5 2.94 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.569 1.826 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 10.3 p90 -87.65 144.63 26.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -99.28 122.95 43.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.812 ' HB3' HG21 ' A' ' 24' ' ' VAL . 7.1 m-85 -44.75 170.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.419 ' O ' ' NE2' ' A' ' 187' ' ' GLN . . . -127.66 171.28 11.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.071 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -48.11 137.07 10.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 1.081 . . . . 0.0 110.313 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -56.65 -27.06 57.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.213 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.55 -44.35 94.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . 0.459 ' HD1' ' HZ2' ' A' ' 53' ' ' TRP . 73.0 m-70 -69.28 -37.99 78.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.564 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 182' ' ' ALA . 0.0 OUTLIER -53.15 114.36 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.592 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 7.6 mp0 51.93 54.03 11.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.585 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 10.1 t80 -85.14 -25.81 27.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.693 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -69.0 -46.38 68.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -29.53 66.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.571 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.12 -29.28 67.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.8 OUTLIER -135.06 99.22 12.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.494 1.786 . . . . 0.0 110.977 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 111.017 -0.417 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.404 ' HE1' ' HA ' ' A' ' 81' ' ' THR . 0.0 OUTLIER -71.57 154.17 93.33 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.423 1.077 . . . . 0.0 110.966 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 125.11 9.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.634 HG21 ' CB ' ' A' ' 181' ' ' TYR . 11.1 t -123.13 138.97 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.05 159.56 3.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 m -80.1 -29.84 39.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.424 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.477 ' CB ' ' C ' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -142.89 143.13 31.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.365 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.552 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 14.9 t-80 -39.42 150.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.624 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.888 ' HB3' ' HG3' ' A' ' 188' ' ' GLN . . . -80.44 -33.45 36.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.891 HG11 ' CE2' ' A' ' 60' ' ' TRP . 53.8 t -84.52 -69.52 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -52.3 -39.84 61.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.38 19.54 76.38 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.424 1.077 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.477 ' C ' ' CB ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -121.46 162.12 21.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 109.639 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.458 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 1.2 t -41.42 145.96 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.954 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.47 -33.61 10.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.964 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 t -87.84 -35.2 17.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.458 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 1.2 t-20 -63.82 138.25 58.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.591 HG21 HD11 ' A' ' 44' ' ' ILE . 8.2 t -130.72 117.69 17.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 149.12 36.36 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.539 1.81 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.77 134.87 56.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.32 4.39 66.37 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.699 ' HE2' ' HB2' ' A' ' 66' ' ' TYR . 3.3 ttm -107.93 152.43 24.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 0.825 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 0.7 OUTLIER -140.23 161.28 38.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.173 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.762 HG12 HG22 ' A' ' 99' ' ' VAL . 3.6 mt -113.63 154.81 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -144.58 130.6 19.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.63 HD12 ' HB1' ' A' ' 176' ' ' ALA . 7.7 mt -101.22 127.23 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -141.94 147.66 37.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -134.7 126.37 28.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.517 ' HB2' HG11 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -135.05 175.56 9.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 110.981 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -42.39 -77.39 0.08 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.663 ' HB3' HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -71.39 -179.73 2.6 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.542 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -141.78 -48.99 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 111.051 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.793 ' CZ3' ' CE1' ' A' ' 189' ' ' TYR . 26.5 m0 -67.14 -42.38 84.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 107.993 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.19 -34.66 36.42 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.591 1.182 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.663 HG23 ' HB3' ' A' ' 51' ' ' CYS . 78.7 t -73.37 -50.14 32.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.554 0.797 . . . . 0.0 109.248 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 188' ' ' GLN . 1.5 tt0 -51.19 -55.41 18.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.214 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.03 -26.57 68.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.582 HD22 ' CG ' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -65.61 -23.51 66.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.524 ' O ' HG21 ' A' ' 65' ' ' VAL . 22.3 m-85 -81.35 -49.75 10.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.891 ' CE2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -69.17 -53.91 17.6 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.503 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 4.6 mm-40 -48.9 -22.5 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.739 HD23 HG23 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -76.73 141.4 68.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.05 115.15 4.2 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.797 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.443 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 128.44 -18.95 5.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.739 HG23 HD23 ' A' ' 62' ' ' LEU . 25.6 t -89.07 121.48 39.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 0.775 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.699 ' HB2' ' HE2' ' A' ' 42' ' ' MET . 3.0 t80 -75.51 -47.8 25.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.434 1.084 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.1 m -162.63 164.03 26.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.961 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.438 ' O ' ' NE2' ' A' ' 28' ' ' HIS . 35.1 p -146.7 140.62 26.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -120.0 141.66 49.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.786 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -103.2 140.48 37.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.793 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -168.79 -154.49 8.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -136.61 168.59 19.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 111.046 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 t -175.33 174.74 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.34 -19.52 39.16 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.435 1.084 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.516 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -86.38 -176.98 49.71 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -113.91 -21.49 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.429 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 9.0 m -74.95 117.43 62.62 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.396 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.17 31.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.471 1.774 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.428 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 89.4 m-20 48.56 64.04 9.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -75.0 160.73 39.81 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.467 1.772 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 85' ' ' VAL . 83.2 m -118.04 153.64 33.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -52.83 -40.37 63.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.9 mtm-85 -69.27 -45.03 70.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.68 -44.31 82.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.241 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 81' ' ' THR . 55.6 t -61.01 -40.93 87.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.7 t -61.53 -30.65 70.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.042 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.3 m -67.37 -39.2 85.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.062 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.52 8.33 61.1 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.431 1.082 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -88.09 5.7 39.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 0.766 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 p -106.17 -16.8 14.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.09 19.99 40.6 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.516 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 42.2 m-70 -91.4 156.56 17.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 0.734 . . . . 0.0 109.638 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -122.18 167.96 12.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.406 1.066 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -81.15 110.11 16.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.226 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.86 152.71 50.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.786 HG12 ' HA ' ' A' ' 70' ' ' ALA . 19.7 m -141.14 158.0 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.225 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.502 ' HG3' ' CG ' ' A' ' 179' ' ' PHE . 17.8 mtm180 -99.73 141.67 32.22 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.519 HG12 ' CG ' ' A' ' 59' ' ' PHE . 5.1 mp -126.94 116.0 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 109.246 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.762 HG22 HG12 ' A' ' 44' ' ' ILE . 20.8 t -105.72 107.13 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.434 ' CD2' HD11 ' A' ' 110' ' ' LEU . 41.9 p90 -126.91 -179.88 5.05 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.47 133.41 24.02 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 0.41 8.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.569 1.826 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.8 t -94.59 -24.07 17.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.3 t -104.8 -48.56 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.471 ' CD1' ' HG ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -132.07 136.11 57.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.454 ' O ' HD13 ' A' ' 105' ' ' ILE . 5.6 p -91.36 161.7 14.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.975 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.632 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 28.8 p90 -60.8 -38.45 85.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.632 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.3 OUTLIER -58.43 -39.99 81.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -59.82 -34.79 73.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.471 ' HG ' ' CD1' ' A' ' 105' ' ' ILE . 63.2 mt -65.64 -46.51 78.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.574 ' HB3' ' CZ2' ' A' ' 115' ' ' TRP . 2.1 mt -67.19 -34.54 77.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -56.78 -50.51 72.1 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 117' ' ' ASN . 0.3 OUTLIER -74.24 -33.52 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.428 ' HA ' ' HE3' ' A' ' 49' ' ' MET . 17.5 t80 -54.43 -53.18 57.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.574 ' CZ2' ' HB3' ' A' ' 111' ' ' LEU . 1.4 m0 -59.69 -25.82 65.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.128 . . . . 0.0 108.015 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.91 -30.01 28.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.582 ' CG ' HD22 ' A' ' 58' ' ' LEU . 13.7 t-20 -97.11 4.13 51.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.362 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.447 ' NE2' ' CB ' ' A' ' 136' ' ' SER . 6.3 t-160 -83.33 174.89 10.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.573 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -117.37 160.13 38.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.378 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 159.57 40.93 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.939 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 38.0 p90 -100.38 125.33 46.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.9 171.02 14.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.447 ' CB ' ' NE2' ' A' ' 118' ' ' HIS . 50.5 m -97.6 108.48 21.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.007 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -144.54 149.35 35.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.841 HG22 ' HD3' ' A' ' 140' ' ' PRO . 59.4 mt -112.46 131.27 64.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -129.42 76.19 79.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.841 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.3 Cg_endo -75.01 166.75 28.54 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.518 1.799 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.732 HD22 ' HB3' ' A' ' 176' ' ' ALA . 0.2 OUTLIER -110.21 -43.37 3.95 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.4 p -83.16 158.71 63.76 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -37.28 2.08 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -63.32 -33.6 75.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.342 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -70.02 -42.21 73.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.323 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -52.68 60.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -52.93 -51.08 62.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.49 96.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.96 -58.39 8.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 151' ' ' ALA . 25.7 ptt180 -63.6 -30.32 71.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 150' ' ' ARG . . . -60.07 -38.82 83.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.551 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 8.4 p -72.08 -32.99 67.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.541 ' C ' HD23 ' A' ' 153' ' ' LEU . 5.5 tt -62.26 -52.77 62.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -60.09 -45.77 91.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -50.89 69.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.353 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -64.27 -44.81 90.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.37 -41.95 88.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 110.25 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -60.18 -46.62 89.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.545 ' O ' ' HB3' ' A' ' 162' ' ' ALA . . . -65.91 -42.24 90.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 6.1 tmm? -60.56 -48.22 82.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -27.6 69.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 159' ' ' ALA . . . -61.73 -16.77 52.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -74.66 -7.85 54.53 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.0 t70 76.18 21.16 1.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.367 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -107.0 149.92 27.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.05 15.99 20.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -84.23 68.31 10.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 1.073 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -70.64 141.79 51.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.609 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.531 HG22 ' HB ' ' A' ' 171' ' ' THR . 2.0 mp -63.97 135.41 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 32.9 m -92.88 33.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.531 ' HB ' HG22 ' A' ' 169' ' ' ILE . 0.4 OUTLIER -85.33 131.63 34.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.383 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -121.39 139.31 53.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 20.1 mt -115.6 128.3 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.13 167.85 21.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -44.38 166.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . 0.732 ' HB3' HD22 ' A' ' 141' ' ' LEU . . . -86.6 89.51 7.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 31.0 p -59.22 163.25 6.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.395 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 113.46 3.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.77 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.578 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.1 OUTLIER -76.72 142.84 40.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.607 1.192 . . . . 0.0 110.992 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 181' ' ' TYR . 5.1 m-85 -120.45 107.77 13.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.634 ' CB ' HG21 ' A' ' 24' ' ' VAL . 63.4 m-85 -36.45 150.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 111.045 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.793 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -113.96 174.07 6.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . 0.401 ' HB2' ' CD2' ' A' ' 186' ' ' HIS . 11.8 mt-10 -44.45 130.49 6.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -51.83 -24.12 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.21 -38.86 82.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . 0.401 ' CD2' ' HB2' ' A' ' 183' ' ' GLU . 53.0 m-70 -74.3 -46.0 43.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 109.627 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 0.621 ' O ' ' HG2' ' A' ' 188' ' ' GLN . 8.2 mt-30 -48.89 129.93 17.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.888 ' HG3' ' HB3' ' A' ' 29' ' ' ALA . 0.3 OUTLIER 34.58 56.98 0.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.793 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 6.2 t80 -85.03 -27.55 26.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.25 -46.33 67.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.522 ' CG ' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -57.24 -28.9 63.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.573 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.7 -33.07 72.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.5 OUTLIER -133.78 100.45 13.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.533 1.807 . . . . 0.0 110.977 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.495 ' N ' HD22 ' A' ' 79' ' ' ASN . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.907 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.402 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -83.0 144.1 46.99 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 22' ' ' MET . 18.4 Cg_endo -74.96 139.22 24.14 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.522 1.801 . . . . 0.0 111.056 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 181' ' ' TYR . 43.0 t -130.64 130.88 64.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.26 165.42 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.543 1.152 . . . . 0.0 109.233 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.928 ' C ' HD13 ' A' ' 27' ' ' LEU . 35.3 m -88.5 -42.7 11.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.442 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.928 HD13 ' C ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -112.79 159.15 19.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.564 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 18.6 t-80 -69.11 158.56 34.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.638 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.34 -27.8 27.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.239 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.674 HG22 ' CD2' ' A' ' 191' ' ' HIS . 58.4 t -94.83 -66.4 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 4.0 t-20 -55.76 -40.08 72.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.9 15.41 79.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 34' ' ' SER . 5.5 t60 -128.13 169.18 14.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.655 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.588 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 0.5 OUTLIER -53.9 131.67 40.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -99.34 -17.1 18.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.44 HG23 ' N ' ' A' ' 37' ' ' ASN . 15.0 t -88.09 -50.63 6.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.405 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.44 ' N ' HG23 ' A' ' 36' ' ' THR . 19.4 t-20 -54.64 140.97 33.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.916 HG21 HD11 ' A' ' 44' ' ' ILE . 16.5 t -126.35 109.69 23.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.224 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.14 148.06 34.25 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.465 1.771 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -57.55 133.54 55.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.405 ' O ' ' OD1' ' A' ' 101' ' ' ASP . . . 99.47 -4.52 58.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.412 1.07 . . . . 0.0 111.049 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.548 ' HE2' ' HB2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -102.49 164.33 11.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 0.743 . . . . 0.0 111.02 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -140.91 159.11 42.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.916 HD11 HG21 ' A' ' 38' ' ' VAL . 2.7 mp -115.53 148.41 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -140.7 134.23 30.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.39 1.056 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.814 HG21 ' CE2' ' A' ' 179' ' ' PHE . 91.2 mt -114.43 134.24 58.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.541 ' CD2' ' CZ ' ' A' ' 59' ' ' PHE . 62.3 m-85 -145.08 165.18 28.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 111.023 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.484 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -148.32 125.88 11.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.716 ' HB2' HG11 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -133.26 165.56 24.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -38.82 -70.75 0.28 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.634 ' CB ' HG23 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -60.7 179.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -136.85 -53.49 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.408 ' HB3' HD23 ' A' ' 190' ' ' LEU . 25.3 m0 -82.14 -36.23 27.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 107.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -69.1 -41.14 82.04 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.57 1.169 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.716 HG11 ' HB2' ' A' ' 49' ' ' MET . 59.8 t -69.66 -61.82 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.453 0.737 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.498 ' HG3' ' CZ3' ' A' ' 60' ' ' TRP . 8.1 pt-20 -49.63 -40.25 38.76 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.526 ' HA ' ' CD2' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -65.08 -33.7 76.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.645 HD23 ' HA ' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -76.76 -20.73 56.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.39 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.541 ' CZ ' ' CD2' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -76.49 -51.44 11.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.526 ' CD2' ' HA ' ' A' ' 57' ' ' ARG . 0.8 OUTLIER -72.16 -11.79 60.89 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.46 -7.44 57.65 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.09 HD11 HG21 ' A' ' 113' ' ' VAL . 0.8 OUTLIER -81.56 137.37 48.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.648 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.4 Cg_endo -74.93 108.2 2.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.56 -9.1 5.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 111.055 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.4 HG13 HG23 ' A' ' 98' ' ' ILE . 54.2 t -86.73 121.93 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.572 0.807 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.548 ' HB2' ' HE2' ' A' ' 42' ' ' MET . 0.7 OUTLIER -75.82 -54.7 6.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.949 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 m -157.72 161.24 38.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.417 HG22 ' HA ' ' A' ' 98' ' ' ILE . 64.1 p -140.45 149.41 42.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 110.463 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.424 ' HB1' ' CE2' ' A' ' 181' ' ' TYR . . . -137.47 123.51 20.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.421 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -82.59 140.02 33.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -160.01 -174.84 30.29 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -118.52 154.66 32.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.753 . . . . 0.0 111.04 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.888 HG21 ' CZ ' ' A' ' 179' ' ' PHE . 11.5 t -151.2 166.88 29.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.463 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.21 -43.42 2.93 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 110.933 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.498 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -56.19 161.67 6.62 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -103.87 -20.63 13.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.773 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 3.5 m -84.08 128.4 62.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.377 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.3 Cg_endo -75.04 166.29 29.46 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.561 1.821 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.495 HD22 ' N ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER 40.28 66.2 3.46 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.56 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 18.5 Cg_endo -74.95 146.23 32.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.557 1.82 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.905 ' O ' HG23 ' A' ' 85' ' ' VAL . 90.0 m -114.04 162.62 16.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -62.57 -39.56 94.07 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -41.04 68.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 110.31 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -66.82 -44.3 81.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.257 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 81' ' ' THR . 57.3 t -66.83 -41.29 87.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.1 t -59.67 -27.81 66.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.085 . . . . 0.0 109.952 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.3 t -71.59 -39.06 70.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.38 14.75 63.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.049 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -86.12 -2.68 58.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.391 0.701 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.5 p -108.91 -24.53 11.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.65 6.81 78.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.56 ' CD2' ' HB3' ' A' ' 80' ' ' PRO . 23.0 m-70 -60.29 149.06 34.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 0.747 . . . . 0.0 109.633 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -120.56 152.57 37.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.363 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.484 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 13.5 pt-20 -69.96 136.71 50.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.523 ' HB1' ' HE2' ' A' ' 179' ' ' PHE . . . -157.91 163.99 37.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.462 HG11 ' HB3' ' A' ' 56' ' ' GLU . 19.1 m -149.87 139.62 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.152 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -93.05 144.34 25.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 110.218 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.524 HG12 ' CD1' ' A' ' 59' ' ' PHE . 5.4 mp -134.48 120.59 33.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.735 HG22 ' CG1' ' A' ' 44' ' ' ILE . 91.2 t -109.62 103.82 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.737 ' CD1' HG23 ' A' ' 105' ' ' ILE . 30.0 p90 -124.22 179.49 4.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 41' ' ' GLY . 0.1 OUTLIER -110.64 138.0 20.9 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.0 Cg_endo -75.06 1.16 8.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.34 -25.99 16.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.1 t -101.97 -50.24 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.737 HG23 ' CD1' ' A' ' 100' ' ' TYR . 3.7 tp -123.14 143.72 35.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.1 p -112.63 162.84 15.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.637 ' HE2' ' HB2' ' A' ' 148' ' ' ALA . 29.3 p90 -57.11 -37.38 71.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.461 ' N ' ' CG ' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -62.88 -42.07 99.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 110.221 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.594 ' O ' HG23 ' A' ' 113' ' ' VAL . 78.3 mt-30 -64.81 -44.68 89.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.702 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 16.8 mt -68.11 -41.22 82.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.57 ' HB3' ' CZ2' ' A' ' 115' ' ' TRP . 1.5 mm? -63.42 -36.65 84.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -65.54 -43.11 90.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 1.09 HG21 HD11 ' A' ' 62' ' ' LEU . 75.4 t -59.13 -38.7 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 118' ' ' HIS . 3.2 t80 -62.09 -47.41 84.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.57 ' CZ2' ' HB3' ' A' ' 111' ' ' LEU . 3.9 m0 -66.05 -17.24 64.56 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -86.29 -38.26 17.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.625 ' CG ' HD22 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -96.75 5.33 50.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 114' ' ' PHE . 0.5 OUTLIER -61.52 145.43 51.93 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.478 1.111 . . . . 0.0 109.627 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -104.13 162.64 19.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.241 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 152.67 41.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.452 ' HB1' ' O ' ' A' ' 168' ' ' HIS . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -96.28 91.74 6.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.947 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -129.88 172.79 11.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.599 1.187 . . . . 0.0 110.288 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 30.4 p -106.78 132.62 52.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.028 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.405 ' H ' ' HB3' ' A' ' 48' ' ' ALA . . . -152.86 152.96 32.14 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.561 HG22 ' HD3' ' A' ' 140' ' ' PRO . 4.6 mt -111.63 133.17 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.451 ' HB2' HG22 ' A' ' 46' ' ' ILE . 89.2 m-85 -130.14 75.72 78.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.561 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.1 Cg_endo -75.01 156.41 42.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 110.944 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.409 HD13 ' HB3' ' A' ' 176' ' ' ALA . 24.4 tp -110.33 -34.64 6.29 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.488 1.118 . . . . 0.0 109.384 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.401 ' OG1' ' CD ' ' A' ' 145' ' ' GLN . 21.8 p -91.86 162.68 30.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 0.0 110.384 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -34.62 3.63 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.532 1.807 . . . . 0.0 110.964 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.91 -38.77 92.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.401 ' CD ' ' OG1' ' A' ' 142' ' ' THR . 47.1 mt-30 -67.0 -45.08 78.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.74 -46.65 89.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.172 . . . . 0.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -53.06 -50.19 64.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.637 ' HB2' ' HE2' ' A' ' 107' ' ' TYR . . . -68.72 -44.22 74.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.85 -59.23 5.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.28 -38.02 87.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.342 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -62.65 -47.49 83.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.497 ' HB2' ' CE2' ' A' ' 115' ' ' TRP . 1.9 p -63.99 -47.48 80.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.03 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.62 ' O ' HD23 ' A' ' 153' ' ' LEU . 4.2 tt -52.92 -50.86 63.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.53 -43.07 95.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 159' ' ' ALA . 0.0 OUTLIER -58.63 -51.94 67.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -63.64 -41.48 98.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -61.93 -51.68 67.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.18 -48.18 62.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.518 ' O ' ' HB3' ' A' ' 162' ' ' ALA . . . -51.75 -49.84 61.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.386 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 33.1 ttp -61.98 -48.2 81.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.963 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -24.9 63.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 159' ' ' ALA . . . -71.22 -21.42 62.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -85.4 7.2 23.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.17 35.41 10.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -111.02 132.19 54.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.65 63.53 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.097 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . 0.418 ' HB3' ' HB3' ' A' ' 121' ' ' ALA . 0.1 OUTLIER -126.3 77.63 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 110.288 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.452 ' O ' ' HB1' ' A' ' 121' ' ' ALA . 31.7 m170 -54.6 139.47 38.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 109.614 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.5 mt -82.58 149.3 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 88.2 m -94.65 35.87 1.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.448 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.6 m -96.78 123.12 40.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 110.42 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.99 124.46 42.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 9.8 mt -97.39 120.92 47.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -137.8 169.23 18.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -53.2 155.1 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . 0.409 ' HB3' HD13 ' A' ' 141' ' ' LEU . . . -87.59 82.97 7.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . 0.428 ' HB ' ' HD2' ' A' ' 178' ' ' PRO . 69.0 p -76.85 163.71 63.83 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . 0.428 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.3 Cg_endo -74.96 103.06 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.44 1.758 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.888 ' CZ ' HG21 ' A' ' 73' ' ' THR . 7.3 m-30 -76.49 145.84 38.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.596 1.185 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 181' ' ' TYR . 19.2 m-85 -89.63 114.68 26.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.564 ' HB3' HG21 ' A' ' 24' ' ' VAL . 30.9 m-85 -37.22 155.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -104.82 174.22 5.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.12 142.04 7.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.262 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -53.18 -28.46 26.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -45.12 93.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -62.71 -46.03 90.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.617 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -51.83 98.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.564 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 5.7 mp0 62.78 60.8 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.253 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.452 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 15.2 t80 -84.19 -25.4 29.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.408 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -70.78 -44.13 67.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.674 ' CD2' HG22 ' A' ' 30' ' ' VAL . 0.2 OUTLIER -58.34 -38.29 76.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.608 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -36.95 77.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.9 OUTLIER -139.02 106.41 7.37 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 111.005 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.928 0 N-CA-C 111.057 -0.401 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 47.7 tpp -70.3 132.38 87.94 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 128.92 11.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.732 HG21 ' HB3' ' A' ' 181' ' ' TYR . 25.1 t -136.47 144.1 33.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.02 152.67 38.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.748 HG22 HD13 ' A' ' 27' ' ' LEU . 1.8 m -78.09 -40.89 36.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.748 HD13 HG22 ' A' ' 26' ' ' THR . 0.1 OUTLIER -107.88 139.29 42.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.265 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.527 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 18.0 t-80 -52.65 154.51 2.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.642 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.5 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -82.26 -27.76 32.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 1.076 HG11 ' CE2' ' A' ' 60' ' ' TRP . 77.0 t -95.16 -66.54 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -54.82 -36.81 65.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.1 19.71 79.76 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.546 1.153 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.511 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.8 t60 -127.97 164.99 21.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 109.549 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.511 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -43.41 144.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.997 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.8 mtp -97.57 -64.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 111.055 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.42 HG23 ' H ' ' A' ' 36' ' ' THR . 46.1 p -53.67 -50.53 65.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.354 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -56.15 127.13 29.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.431 HG22 HG11 ' A' ' 99' ' ' VAL . 36.9 t -125.72 129.88 24.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 38' ' ' VAL . 18.2 Cg_endo -75.01 142.88 28.34 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.516 1.798 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.12 129.0 29.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.55 -9.51 32.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.443 1.089 . . . . 0.0 111.038 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.454 ' HE1' ' HB2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -104.66 155.09 19.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 111.053 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -134.12 159.6 40.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.809 ' CG1' HG22 ' A' ' 99' ' ' VAL . 3.8 mt -106.02 147.03 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -138.95 132.17 29.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.554 HG22 ' CD2' ' A' ' 139' ' ' TYR . 6.9 mt -111.47 137.01 45.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -150.57 161.51 42.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.617 ' HB3' ' H ' ' A' ' 137' ' ' ALA . . . -129.65 117.98 21.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.375 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.793 ' HB3' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -121.21 177.02 5.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -55.36 -77.36 0.15 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.3 m -65.01 178.83 0.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.558 ' CE2' ' HB1' ' A' ' 70' ' ' ALA . 3.3 t80 -126.18 -49.19 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.518 ' CG ' ' HB3' ' A' ' 189' ' ' TYR . 12.1 m0 -83.22 -38.24 22.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 107.95 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.72 -47.77 86.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.128 . . . . 0.0 111.059 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.793 HG11 ' HB3' ' A' ' 49' ' ' MET . 32.0 m -70.65 -53.81 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.276 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.547 ' N ' HG23 ' A' ' 55' ' ' VAL . 1.8 tt0 -49.33 -53.91 19.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -64.33 -27.89 69.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.233 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -41.64 75.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.597 ' O ' HG21 ' A' ' 65' ' ' VAL . 6.6 m-85 -57.76 -49.95 74.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 1.076 ' CE2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -68.29 -54.87 14.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 108.083 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.521 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 1.6 mm100 -48.91 -22.49 0.85 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.107 HD11 HG11 ' A' ' 113' ' ' VAL . 10.4 mt -76.05 142.22 72.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 113.03 3.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.443 1.759 . . . . 0.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.83 -21.76 4.4 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.487 1.117 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.597 HG21 ' O ' ' A' ' 59' ' ' PHE . 70.7 t -88.27 125.75 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.571 0.806 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.454 ' HB2' ' HE1' ' A' ' 42' ' ' MET . 2.8 t80 -81.22 -56.99 3.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.9 p -148.57 160.05 43.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.096 . . . . 0.0 110.05 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 20.4 p -141.22 167.73 21.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.355 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.657 ' HB3' ' HG2' ' A' ' 97' ' ' ARG . . . -153.14 142.91 22.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.669 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -97.79 139.85 33.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.077 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.723 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -168.3 -159.26 13.55 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.401 ' HA ' ' O ' ' A' ' 93' ' ' ALA . 5.1 m-85 -147.43 168.99 20.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 111.006 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.0 t -172.53 166.55 5.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.474 1.109 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.47 -12.49 67.74 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.428 1.08 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.505 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -77.16 172.13 55.13 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 76' ' ' TYR . 0.6 OUTLIER -106.76 -29.16 9.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 0.807 . . . . 0.0 111.031 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.5 m -79.28 127.7 78.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.441 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -75.0 166.34 29.4 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.575 1.829 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.402 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 54.8 m-80 40.44 64.6 4.6 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.538 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 18.5 Cg_endo -74.94 147.27 33.96 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.519 1.799 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.9 m -116.33 155.62 28.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.464 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -56.2 -48.14 76.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -38.84 84.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.594 1.184 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.428 ' OE2' ' CG2' ' A' ' 90' ' ' THR . 1.6 tt0 -68.04 -45.11 74.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.246 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.1 t -59.78 -38.82 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.263 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.437 ' O ' ' NE2' ' A' ' 133' ' ' GLN . 22.8 t -54.34 -21.29 9.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.049 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.9 m -64.64 -40.11 94.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 82.66 1.12 90.5 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.454 1.096 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -97.17 17.55 16.94 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.583 0.814 . . . . 0.0 109.339 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.428 ' CG2' ' OE2' ' A' ' 84' ' ' GLU . 6.1 p -108.59 -14.1 14.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.19 5.9 59.9 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.538 ' CD2' ' HB3' ' A' ' 80' ' ' PRO . 53.4 m-70 -73.04 151.58 41.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 0.799 . . . . 0.0 109.58 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 72' ' ' TYR . . . -126.57 154.98 43.16 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.536 1.147 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -74.35 112.36 10.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.65 153.93 51.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.669 HG12 ' HA ' ' A' ' 70' ' ' ALA . 15.9 m -142.99 141.78 26.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.657 ' HG2' ' HB3' ' A' ' 69' ' ' ALA . 0.7 OUTLIER -93.16 128.97 39.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.537 HG12 ' CG ' ' A' ' 59' ' ' PHE . 3.0 mp -117.03 129.82 72.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.809 HG22 ' CG1' ' A' ' 44' ' ' ILE . 87.9 t -114.36 99.96 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.252 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.693 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 8.0 p90 -123.15 175.15 6.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.55 133.5 20.15 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.196 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.02 9.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.802 . . . . 0.0 111.009 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.26 -19.46 17.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.0 t -103.67 -49.37 9.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.8 tt -121.84 155.14 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 p -114.83 148.41 38.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.083 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.523 ' CE1' ' HG3' ' A' ' 108' ' ' GLU . 51.5 p90 -50.31 -29.51 9.93 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.479 1.112 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.523 ' HG3' ' CE1' ' A' ' 107' ' ' TYR . 0.5 OUTLIER -72.73 -31.61 65.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -40.36 85.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.693 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 8.3 mt -69.62 -41.8 75.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.249 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.24 -38.29 90.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.51 -54.2 26.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 1.107 HG11 HD11 ' A' ' 62' ' ' LEU . 21.7 t -63.01 -44.91 99.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.596 1.185 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.505 ' CE1' ' HG3' ' A' ' 49' ' ' MET . 32.4 t80 -51.63 -53.16 41.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.673 ' HH2' HG21 ' A' ' 171' ' ' THR . 42.4 m95 -67.19 -24.78 65.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 107.981 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -70.62 -32.15 69.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -103.9 4.35 34.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.59 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 26.1 t-80 -72.37 160.53 32.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.613 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.59 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 7.3 m-20 -99.16 144.91 29.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 160.33 40.12 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 167' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.332 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 86' ' ' SER . 6.4 mt-30 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 32.5 p90 -86.17 125.13 33.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.3 173.63 11.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 171' ' ' THR . 14.2 p -111.06 98.57 7.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.079 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.617 ' H ' ' HB3' ' A' ' 48' ' ' ALA . . . -129.16 162.6 27.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.58 HG22 ' HD3' ' A' ' 140' ' ' PRO . 4.4 mt -125.47 126.98 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.364 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.554 ' CD2' HG22 ' A' ' 46' ' ' ILE . 80.9 m-85 -122.72 77.59 48.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.829 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.3 Cg_endo -75.04 162.74 36.54 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.521 1.801 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.522 HD22 ' HB3' ' A' ' 176' ' ' ALA . 0.2 OUTLIER -114.66 -10.11 12.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.47 HG23 ' CG ' ' A' ' 145' ' ' GLN . 0.3 OUTLIER -120.58 151.84 54.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.456 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 142' ' ' THR . 18.4 Cg_endo -74.96 -37.86 1.86 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.25 -48.75 78.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.356 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.47 ' CG ' HG23 ' A' ' 142' ' ' THR . 1.9 pt20 -69.82 -31.55 69.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.259 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.18 -44.97 92.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -69.88 -36.93 75.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -68.6 -43.98 75.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.03 -59.08 5.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -32.34 70.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -62.25 -43.89 97.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 109.238 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.7 p -75.57 -42.03 53.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.95 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.762 ' C ' HD23 ' A' ' 153' ' ' LEU . 0.6 OUTLIER -57.31 -51.37 69.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.689 ' N ' HD23 ' A' ' 153' ' ' LEU . 35.5 tp10 -60.7 -41.66 95.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -65.2 -43.03 92.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 115' ' ' TRP . 0.8 OUTLIER -60.41 -39.78 88.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 160' ' ' MET . 6.2 tt0 -65.32 -47.49 76.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.16 -30.97 67.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.79 77.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.524 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 9.9 ptm -67.92 -31.82 71.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.117 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.521 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -61.07 -38.6 86.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.66 -17.03 62.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 160' ' ' MET . . . -83.57 -0.93 52.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 5.5 t0 77.25 31.28 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -106.63 133.1 51.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.51 -11.19 27.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . 0.488 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 26.4 mmt-85 -72.6 69.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.238 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -65.71 145.73 55.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.103 . . . . 0.0 109.628 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.703 HD12 HG22 ' A' ' 171' ' ' THR . 2.1 pt -64.02 140.49 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 10.2 t -108.21 27.54 9.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.703 HG22 HD12 ' A' ' 169' ' ' ILE . 1.9 t -80.62 136.81 36.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.444 1.09 . . . . 0.0 110.37 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -120.04 139.26 52.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . 0.575 HD11 HD13 ' A' ' 153' ' ' LEU . 15.8 mt -106.97 121.75 60.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -136.93 161.74 35.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.356 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -41.22 159.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . 0.829 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -73.43 86.19 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 58.0 p -59.26 161.73 9.31 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 108.91 2.82 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.6 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.1 OUTLIER -76.84 145.08 38.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.32 112.77 19.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.732 ' HB3' HG21 ' A' ' 24' ' ' VAL . 43.5 m-85 -40.39 158.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.723 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -122.38 175.09 6.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -39.01 132.06 1.33 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.57 -24.13 19.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.78 -45.29 94.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -63.81 -38.79 92.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.588 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 0.598 ' OE1' ' HB3' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -53.88 109.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.52 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 10.0 mp0 54.82 56.82 6.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.518 ' HB3' ' CG ' ' A' ' 53' ' ' TRP . 9.0 t80 -84.04 -30.24 26.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.946 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.74 -46.38 46.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.83 ' ND1' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -60.35 -32.72 71.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.574 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.43 -47.78 82.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.1 OUTLIER -122.57 109.05 32.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 111.03 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.4 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 29.1 mtt -76.2 146.5 78.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 22' ' ' MET . 18.6 Cg_endo -74.98 130.03 12.91 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.446 1.761 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.416 HG21 ' CG ' ' A' ' 181' ' ' TYR . 26.6 t -113.46 132.99 60.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.51 167.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.7 m -83.28 -37.56 23.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.158 . . . . 0.0 110.398 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.475 ' CB ' ' C ' ' A' ' 33' ' ' HIS . 0.5 OUTLIER -129.88 161.71 30.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.479 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.8 t-80 -58.75 160.48 5.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.677 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.889 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -85.46 -34.02 21.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.479 ' HB ' ' CE1' ' A' ' 28' ' ' HIS . 44.2 t -87.61 -67.51 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.16 -38.64 65.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.77 32.04 61.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.475 ' C ' ' CB ' ' A' ' 27' ' ' LEU . 20.5 t60 -135.84 158.49 44.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 0.794 . . . . 0.0 109.627 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.1 p -39.44 143.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 110.013 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.99 -62.81 1.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.7 t -49.88 -44.63 50.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.447 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -54.46 134.95 46.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.376 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.497 HG22 HG11 ' A' ' 99' ' ' VAL . 2.6 t -137.93 116.08 9.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.404 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -74.97 139.6 24.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.528 1.804 . . . . 0.0 111.056 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.65 131.79 30.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.35 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.63 -4.88 32.73 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.474 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -106.91 165.26 11.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 0.807 . . . . 0.0 110.98 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -145.29 165.66 27.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.619 HG12 HG22 ' A' ' 99' ' ' VAL . 3.3 mt -109.31 155.44 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -146.67 138.55 24.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.638 HD12 ' HB1' ' A' ' 176' ' ' ALA . 12.0 mt -117.03 146.67 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.241 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.544 ' CD2' ' CE2' ' A' ' 114' ' ' PHE . 33.8 m-85 -155.06 155.94 34.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.462 ' HB2' ' HE2' ' A' ' 139' ' ' TYR . . . -131.13 116.3 17.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.803 ' HB3' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -126.17 149.94 48.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.971 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -37.83 -42.92 1.16 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.579 1.175 . . . . 0.0 110.979 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.5 m -105.16 179.76 4.18 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 2.4 p90 -146.79 -44.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 111.062 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 22.4 m0 -64.72 -46.05 83.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 107.954 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.97 -41.89 17.47 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.568 1.167 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.803 HG21 ' HB3' ' A' ' 49' ' ' MET . 83.2 t -63.18 -59.1 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 0.736 . . . . 0.0 109.256 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 20.0 tt0 -53.87 -35.06 61.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.535 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 34.5 ttp85 -65.57 -39.56 91.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.366 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.601 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -75.99 -20.94 57.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.722 ' CE2' HD13 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -77.44 -53.56 7.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.836 ' HA ' HG11 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -69.62 -12.7 61.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 107.983 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -85.77 -8.83 57.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 110.226 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.763 HD21 HG21 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -82.5 144.08 48.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.356 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.453 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.4 Cg_endo -75.03 113.17 3.73 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.0 -13.73 5.75 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.836 HG11 ' HA ' ' A' ' 60' ' ' TRP . 20.3 t -78.88 110.68 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.474 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 3.9 t80 -78.87 -51.91 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.971 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -140.23 146.81 39.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.46 156.14 42.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 110.435 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.05 158.19 32.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.607 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -125.92 134.88 51.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -153.47 -164.92 13.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.422 1.076 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -137.3 160.23 39.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 0.779 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.0 t -169.36 172.21 7.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.358 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.68 -19.24 55.51 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.24 -178.93 49.71 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 76' ' ' TYR . 13.8 t80 -112.53 -19.1 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.401 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 21.6 m -74.99 117.84 65.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.415 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 150.22 37.53 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.451 1.764 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.428 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 27.9 m-20 42.67 64.0 6.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.452 ' HB2' ' CG2' ' A' ' 85' ' ' VAL . 18.4 Cg_endo -74.92 151.93 40.53 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.526 1.803 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.6 m -111.41 153.33 26.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.449 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -52.62 -39.66 61.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -69.05 -39.68 79.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.321 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -72.75 -44.73 61.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.452 ' CG2' ' HB2' ' A' ' 80' ' ' PRO . 50.6 t -61.77 -38.33 80.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.5 t -69.44 -25.85 64.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.592 1.182 . . . . 0.0 110.028 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.67 -33.97 71.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.954 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.46 14.5 61.67 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -99.03 16.25 23.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 0.756 . . . . 0.0 109.361 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.3 p -112.67 -25.0 9.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 110.331 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.69 16.83 68.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.401 ' NE2' ' O ' ' A' ' 77' ' ' THR . 28.6 m-70 -84.51 166.11 17.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 0.739 . . . . 0.0 109.591 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -125.61 167.71 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -85.37 124.69 32.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 110.355 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.81 164.27 32.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.607 HG12 ' HA ' ' A' ' 70' ' ' ALA . 1.7 m -144.42 146.22 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.654 ' HD3' HG23 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -101.35 136.74 40.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.722 HD13 ' CE2' ' A' ' 59' ' ' PHE . 4.7 mp -130.83 134.34 61.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.654 HG23 ' HD3' ' A' ' 97' ' ' ARG . 59.1 t -120.51 100.08 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -123.14 179.97 4.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.39 132.68 22.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.1 Cg_endo -75.04 -0.46 10.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.778 . . . . 0.0 111.028 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.15 -23.75 16.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.2 t -103.63 -37.93 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.635 HD13 ' N ' ' A' ' 106' ' ' SER . 0.2 OUTLIER -138.29 131.7 41.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.635 ' N ' HD13 ' A' ' 105' ' ' ILE . 3.9 p -92.98 154.28 18.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.021 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.482 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 10.4 p90 -62.89 -31.66 72.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.482 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 1.5 tt0 -59.1 -48.01 83.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.239 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.414 ' HB2' HD11 ' A' ' 105' ' ' ILE . 50.9 mt-30 -58.92 -41.25 86.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.249 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.541 ' HG ' HD12 ' A' ' 105' ' ' ILE . 46.5 mt -59.19 -46.95 87.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 87.8 mt -58.23 -40.43 81.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -41.86 84.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.15 . . . . 0.0 110.24 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.763 HG21 HD21 ' A' ' 62' ' ' LEU . 2.2 t -65.3 -53.35 41.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.605 ' CE2' ' SD ' ' A' ' 49' ' ' MET . 1.5 m-85 -56.15 -38.12 70.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.496 ' CH2' ' HB2' ' A' ' 156' ' ' PHE . 3.3 m95 -59.88 -29.54 68.39 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -86.79 -35.45 19.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.547 ' ND2' ' CD2' ' A' ' 58' ' ' LEU . 18.7 t-20 -87.43 5.79 37.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -69.42 155.98 39.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.637 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -105.05 158.48 31.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 160.18 40.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.518 1.799 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.679 ' HB2' HG22 ' A' ' 169' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.357 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -120.97 125.12 46.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -149.0 169.52 20.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.4 p -100.78 88.39 3.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.033 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -121.64 150.66 41.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.748 HG22 ' HD3' ' A' ' 140' ' ' PRO . 54.9 mt -113.94 132.64 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.503 ' CD2' HG22 ' A' ' 46' ' ' ILE . 84.6 m-85 -123.31 77.47 53.25 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.748 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.1 Cg_endo -75.1 169.8 21.79 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.433 1.754 . . . . 0.0 110.947 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.568 HD22 ' CB ' ' A' ' 176' ' ' ALA . 0.7 OUTLIER -112.54 -56.46 2.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 67.3 p -63.94 159.97 50.62 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.7 3.61 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.552 1.817 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.66 -47.63 68.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.418 ' HG3' ' CD1' ' A' ' 107' ' ' TYR . 34.6 tt0 -57.73 -38.33 75.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.252 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -45.81 91.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -72.2 -41.32 67.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -56.59 -52.65 64.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.9 -54.68 41.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.227 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.95 -44.72 82.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.1 -39.84 69.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.6 p -78.0 -34.14 50.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.771 ' C ' HD23 ' A' ' 153' ' ' LEU . 2.3 tt -64.74 -53.14 51.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.62 -20.0 62.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.6 -47.96 7.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.496 ' HB2' ' CH2' ' A' ' 115' ' ' TRP . 13.1 t80 -50.32 -55.81 13.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.463 ' O ' ' CG ' ' A' ' 160' ' ' MET . 12.1 pt20 -59.33 -36.24 75.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.42 -32.1 68.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.16 77.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 7.6 ptm -68.02 -32.76 73.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.483 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.0 OUTLIER -60.96 -41.98 97.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.94 -22.01 66.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.443 ' HB3' ' OD1' ' A' ' 165' ' ' ASP . . . -84.14 -0.48 52.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 109.357 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.9 OUTLIER 77.44 33.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . 0.443 ' OD1' ' HB3' ' A' ' 163' ' ' ALA . 43.3 m-20 -106.28 127.1 52.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -99.12 -3.29 34.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -81.83 80.87 8.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -80.1 143.25 34.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.627 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.679 HG22 ' HB2' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -80.26 131.38 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 4.1 t -77.65 54.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.533 HG23 ' CD1' ' A' ' 153' ' ' LEU . 14.9 t -91.69 124.88 36.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.446 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -121.46 139.5 53.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 19.5 mt -118.35 129.44 74.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.85 168.94 19.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -44.69 166.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 109.346 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . 0.638 ' HB1' HD12 ' A' ' 46' ' ' ILE . . . -89.33 85.51 6.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 20.7 p -59.94 161.77 11.41 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.408 1.067 . . . . 0.0 110.36 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 108.67 2.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 97' ' ' ARG . 4.1 p90 -83.36 145.25 29.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.63 118.75 37.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.416 ' CG ' HG21 ' A' ' 24' ' ' VAL . 56.9 m-85 -44.78 143.03 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -98.62 173.45 6.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -44.88 126.53 5.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -49.06 -24.83 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -45.83 75.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -72.59 -45.09 60.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.413 1.07 . . . . 0.0 109.591 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 0.448 ' C ' ' HG2' ' A' ' 188' ' ' GLN . 0.4 OUTLIER -47.95 122.09 4.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.264 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.748 ' OE1' ' HB3' ' A' ' 29' ' ' ALA . 4.0 pt20 40.47 57.86 2.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 110.308 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -85.07 -34.32 22.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.524 ' HA ' HD12 ' A' ' 190' ' ' LEU . 6.7 tp -66.2 -23.71 66.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.889 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -56.95 -34.41 68.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.613 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . 0.496 ' N ' ' CD2' ' A' ' 191' ' ' HIS . 6.9 tttt -67.96 -41.4 82.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.14 103.13 18.48 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.369 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.452 1.764 . . . . 0.0 110.994 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.932 0 N-CA-C 111.1 -0.384 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.9 tpp -71.09 123.11 88.8 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.439 1.087 . . . . 0.0 111.038 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 126.17 9.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.64 HG21 ' HB3' ' A' ' 181' ' ' TYR . 3.8 t -128.07 133.7 66.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.08 152.24 0.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.768 HG22 HD13 ' A' ' 27' ' ' LEU . 1.3 m -83.14 -40.62 19.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.438 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.768 HD13 HG22 ' A' ' 26' ' ' THR . 0.1 OUTLIER -106.79 134.46 49.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.575 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 13.5 t-80 -46.95 149.26 0.91 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.493 1.12 . . . . 0.0 109.573 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.668 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -80.65 -25.91 38.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.07 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 1.09 HG11 ' CE2' ' A' ' 60' ' ' TRP . 80.6 t -95.56 -67.63 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -53.71 -40.57 66.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 73.11 32.1 60.89 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.439 1.087 . . . . 0.0 111.071 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.53 170.82 15.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.776 . . . . 0.0 109.638 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 m -39.52 135.25 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.32 -56.39 2.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 111.097 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.2 p -70.14 -53.95 15.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.432 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -55.73 124.89 18.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.348 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.583 HG21 HD11 ' A' ' 44' ' ' ILE . 4.8 t -119.5 127.85 26.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 146.35 32.86 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.529 1.805 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.53 134.16 53.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.56 -14.53 32.57 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.54 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -104.48 164.53 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 110.99 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -141.74 161.63 37.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.74 ' CG1' HG22 ' A' ' 99' ' ' VAL . 3.2 mt -110.49 155.54 11.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -149.98 130.07 13.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.63 HG22 ' CD2' ' A' ' 139' ' ' TYR . 15.7 mt -95.9 142.7 13.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.397 1.061 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -152.96 143.35 22.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.052 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.14 130.34 51.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.709 ' CB ' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -137.6 -172.85 3.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 111.063 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -67.87 -78.53 0.28 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.525 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -93.03 82.04 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.687 ' CZ ' ' CD1' ' A' ' 53' ' ' TRP . 8.5 p90 -53.06 -19.82 3.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.687 ' CD1' ' CZ ' ' A' ' 52' ' ' PHE . 4.2 m0 -65.01 -48.54 73.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 108.032 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.673 ' HA2' HD23 ' A' ' 190' ' ' LEU . . . -73.93 -42.47 37.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.709 HG21 ' CB ' ' A' ' 49' ' ' MET . 21.9 t -57.65 -61.84 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.81 -37.15 29.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.181 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.456 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 4.0 ttp-105 -73.59 -41.19 63.18 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.578 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -68.45 -34.61 76.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.576 ' CD1' HG12 ' A' ' 98' ' ' ILE . 0.7 OUTLIER -60.24 -63.63 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.942 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 1.09 ' CE2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -56.75 -53.01 62.7 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.551 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 2.4 mm-40 -48.75 -22.39 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.888 HD11 HG21 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -73.79 138.76 76.77 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.497 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.02 109.53 2.95 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.515 1.797 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 134.69 -19.01 4.03 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.527 1.142 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.0 t -90.86 125.95 43.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 0.768 . . . . 0.0 109.312 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.54 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -75.2 -57.19 4.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m -158.26 165.22 35.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.402 HG22 ' HA ' ' A' ' 98' ' ' ILE . 37.1 p -133.65 163.2 29.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.473 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.917 ' HB1' ' CE1' ' A' ' 181' ' ' TYR . . . -142.67 121.64 12.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.878 ' HB3' ' OE1' ' A' ' 187' ' ' GLN . . . -88.73 129.0 35.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.492 ' N ' ' NH2' ' A' ' 97' ' ' ARG . . . -150.33 -166.6 13.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.963 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.559 ' CE1' HG11 ' A' ' 85' ' ' VAL . 98.9 m-85 -127.37 154.24 45.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 0.782 . . . . 0.0 111.045 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.6 t -161.16 158.03 26.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.0 -15.18 59.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.454 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -86.75 171.3 43.01 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 11.2 m-85 -113.78 -22.13 10.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 0.749 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.9 m -77.83 125.27 85.85 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.409 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.6 Cg_endo -74.9 161.81 38.38 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.535 1.808 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.413 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 4.9 m120 40.3 64.24 4.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.458 ' HB2' ' CG2' ' A' ' 85' ' ' VAL . 18.4 Cg_endo -74.92 148.52 35.79 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.578 1.83 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 85' ' ' VAL . 39.3 m -107.96 163.21 13.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.457 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -62.02 -46.58 88.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -40.89 67.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -62.89 -45.14 93.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.252 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 81' ' ' THR . 47.3 t -64.45 -40.67 89.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.33 -25.73 36.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.989 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -37.08 81.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.462 ' CA ' ' OE1' ' A' ' 133' ' ' GLN . . . 81.04 14.74 78.77 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.412 1.07 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -89.19 -12.65 40.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 0.78 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 67.5 p -89.6 -25.6 21.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.362 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.84 17.17 70.86 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.454 ' CG ' ' HA3' ' A' ' 75' ' ' GLY . 60.6 m-70 -80.71 142.6 33.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 109.599 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.52 163.77 14.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.94 113.28 20.43 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.84 162.55 29.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.685 HG23 HD11 ' A' ' 98' ' ' ILE . 27.0 m -140.67 164.94 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.865 ' C ' HD12 ' A' ' 98' ' ' ILE . 0.7 OUTLIER -113.25 142.83 45.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.865 HD12 ' C ' ' A' ' 97' ' ' ARG . 3.3 mp -131.29 115.23 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.74 HG22 ' CG1' ' A' ' 44' ' ' ILE . 93.0 t -113.04 99.76 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.644 ' HD2' HG22 ' A' ' 98' ' ' ILE . 51.2 p90 -128.05 176.87 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.24 135.87 19.27 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -2.99 13.26 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.436 1.756 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.85 -21.49 15.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.041 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 80.1 t -97.69 -49.85 11.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.527 HG23 ' CD1' ' A' ' 100' ' ' TYR . 2.0 tt -123.77 149.68 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.0 p -106.37 152.85 23.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.96 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 32.2 p90 -60.14 -31.37 70.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.457 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -61.22 -39.89 91.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.283 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -66.7 -46.67 74.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.638 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 25.4 mt -55.95 -49.58 73.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.22 -44.77 96.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -56.84 -50.86 71.15 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.888 HG21 HD11 ' A' ' 62' ' ' LEU . 1.8 t -60.03 -50.57 79.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.424 ' O ' ' N ' ' A' ' 118' ' ' HIS . 4.4 t80 -54.49 -50.0 68.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 1.076 . . . . 0.0 110.966 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.493 ' HB3' ' CE1' ' A' ' 156' ' ' PHE . 71.4 m95 -65.29 -21.68 66.75 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -85.57 -26.96 25.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 113' ' ' VAL . 8.9 t-20 -104.23 4.34 33.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.585 1.178 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.561 ' C ' ' CD2' ' A' ' 118' ' ' HIS . 0.0 OUTLIER -72.47 169.29 16.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.606 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.46 147.77 38.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 157.29 42.64 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.255 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.462 ' OE1' ' CA ' ' A' ' 88' ' ' GLY . 25.2 mm100 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.519 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 35.4 p90 -85.97 128.07 34.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -146.01 168.03 21.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.248 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.6 m -111.0 131.94 54.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.032 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -163.4 150.8 12.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.231 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.429 HG22 ' HD3' ' A' ' 140' ' ' PRO . 8.0 mt -110.74 131.15 62.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.63 ' CD2' HG22 ' A' ' 46' ' ' ILE . 91.2 m-85 -126.63 79.13 71.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.429 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.2 Cg_endo -74.98 169.89 21.62 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.504 1.792 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 141' ' ' LEU . 1.1 mm? -118.59 -45.54 2.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 67.7 p -81.15 160.93 64.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.444 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -34.55 3.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.535 1.808 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.05 -42.94 83.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -58.8 -45.7 89.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -45.21 87.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.36 -41.3 96.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.387 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -67.57 -42.82 81.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.89 -58.0 9.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 151' ' ' ALA . 14.2 ptt180 -59.41 -31.95 69.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.228 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.406 ' N ' ' HG3' ' A' ' 150' ' ' ARG . . . -62.38 -43.83 97.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 91.9 p -69.53 -49.06 57.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 4.7 tt -53.81 -53.05 57.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -55.67 -30.97 61.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -81.07 -35.93 31.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.282 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 115' ' ' TRP . 0.3 OUTLIER -75.48 -46.89 29.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.974 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.77 -35.08 77.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.4 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -70.08 -45.98 65.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.81 -45.36 94.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -59.45 -46.9 87.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -31.9 72.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.14 -18.66 63.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.45 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -80.33 -4.88 55.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.609 1.193 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 5.7 t70 77.68 21.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.406 1.066 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.2 136.47 40.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.65 12.29 28.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.18 81.93 5.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 110.25 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -72.86 144.3 47.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.639 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.1 mp -67.57 142.08 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 9.5 t -87.92 41.93 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 110.434 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.444 HG21 ' CH2' ' A' ' 115' ' ' TRP . 8.6 m -94.07 124.84 38.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 110.38 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -122.17 140.01 53.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.234 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 23.2 mt -111.72 121.18 63.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.247 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -149.34 164.61 34.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -42.15 162.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . 0.408 ' HB1' HD12 ' A' ' 46' ' ' ILE . . . -85.43 83.43 7.94 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -60.61 163.14 9.71 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.61 1.194 . . . . 0.0 110.412 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 131.42 14.2 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.778 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.656 ' CD2' ' NE ' ' A' ' 97' ' ' ARG . 17.9 p90 -100.2 144.9 28.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -104.75 106.22 16.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.917 ' CE1' ' HB1' ' A' ' 69' ' ' ALA . 0.6 OUTLIER -38.16 143.76 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 111.031 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.466 ' O ' ' CG2' ' A' ' 24' ' ' VAL . . . -103.35 174.04 6.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -46.3 143.98 2.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 13.0 p30 -64.31 -22.81 67.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -64.97 -38.68 91.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -69.02 -40.12 78.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.589 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 0.878 ' OE1' ' HB3' ' A' ' 70' ' ' ALA . 2.6 mp0 -49.01 116.37 1.64 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.759 ' HG2' HG23 ' A' ' 30' ' ' VAL . 10.2 mp0 46.34 54.53 8.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.27 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.452 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 6.4 t80 -85.34 -31.19 23.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 111.049 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.673 HD23 ' HA2' ' A' ' 54' ' ' GLY . 8.2 tp -76.22 -39.92 53.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.544 ' CG ' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -56.46 -30.66 63.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.631 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -65.8 -38.17 88.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.502 ' N ' ' ND2' ' A' ' 193' ' ' ASN . 0.1 OUTLIER -138.35 101.15 8.34 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.464 1.771 . . . . 0.0 110.992 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.435 ' HA ' ' ND2' ' A' ' 79' ' ' ASN . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 110.981 -0.43 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.04 145.18 73.21 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 131.63 14.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.481 HG21 ' HB3' ' A' ' 181' ' ' TYR . 42.4 t -121.52 128.21 75.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.79 150.27 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.522 HG22 HD13 ' A' ' 27' ' ' LEU . 22.3 m -77.36 -44.42 29.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.445 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.522 HD13 HG22 ' A' ' 26' ' ' THR . 0.2 OUTLIER -106.01 134.2 49.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.569 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 15.2 t-80 -48.95 155.16 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 109.63 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.429 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -84.3 -27.79 27.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 1.057 HG11 ' CD2' ' A' ' 60' ' ' TRP . 43.1 t -91.21 -68.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -54.5 -39.98 68.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.17 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.25 23.33 76.09 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -132.78 170.92 14.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 0.725 . . . . 0.0 109.587 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -39.14 138.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.067 . . . . 0.0 110.007 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.65 -65.02 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.7 p -63.55 -51.74 64.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -54.92 129.22 36.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.773 HG21 HD11 ' A' ' 44' ' ' ILE . 2.5 t -126.16 115.59 23.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 147.13 33.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.413 1.743 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.11 131.01 36.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.4 -4.45 31.28 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.477 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -111.7 150.36 30.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 0.767 . . . . 0.0 111.045 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 0.8 OUTLIER -127.73 165.33 20.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.773 HD11 HG21 ' A' ' 38' ' ' VAL . 3.2 mt -121.69 155.58 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -149.66 145.28 26.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.397 1.061 . . . . 0.0 109.299 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 93.5 mt -118.97 128.43 75.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.246 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -137.92 151.49 48.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.525 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -130.46 121.19 25.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.606 ' CB ' HG21 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -137.39 155.21 49.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 111.031 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.56 -75.45 0.15 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.801 ' O ' HG23 ' A' ' 55' ' ' VAL . 4.1 p -76.59 59.4 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.491 ' CD1' ' N ' ' A' ' 53' ' ' TRP . 9.0 p90 -50.81 -37.37 42.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.796 ' CH2' ' CD1' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -61.94 -51.01 69.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 108.046 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.487 ' HA2' ' CD1' ' A' ' 190' ' ' LEU . . . -70.99 -31.6 66.73 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.031 ' HA ' HD23 ' A' ' 58' ' ' LEU . 73.2 t -65.14 -54.0 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 0.8 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -40.72 51.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.495 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 1.4 ttt180 -68.36 -36.72 79.62 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.396 1.06 . . . . 0.0 110.37 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.031 HD23 ' HA ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -71.78 -33.63 68.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.542 ' CG ' HG12 ' A' ' 98' ' ' ILE . 1.0 OUTLIER -60.01 -63.61 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 110.973 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 1.057 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -56.58 -49.79 73.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 108.026 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.612 ' OE1' ' CZ2' ' A' ' 60' ' ' TRP . 11.4 mm100 -51.52 -20.34 1.86 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.587 1.179 . . . . 0.0 110.228 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.594 HD11 HG21 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -76.99 140.35 66.54 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.498 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.04 111.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.91 -17.18 4.65 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.415 1.072 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 60' ' ' TRP . 27.2 t -89.52 121.11 39.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.477 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 1.1 t80 -78.1 -56.2 4.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.0 m -148.23 165.65 30.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.49 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 82.7 p -144.65 167.3 22.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.433 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.458 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -155.71 130.07 8.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.587 ' HA ' HG22 ' A' ' 96' ' ' VAL . . . -91.41 132.65 36.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' ALA . . . -158.23 -161.43 10.99 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.524 ' CD1' ' N ' ' A' ' 72' ' ' TYR . 0.6 OUTLIER -146.0 160.69 41.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 0.739 . . . . 0.0 110.978 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.491 ' OG1' ' CG2' ' A' ' 177' ' ' THR . 6.0 t -166.44 170.9 12.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.355 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.11 -18.89 56.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.576 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -79.69 -169.67 38.9 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -115.06 -31.39 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 0.728 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.404 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 4.2 m -74.56 124.47 89.78 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.567 1.167 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.87 147.5 34.64 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.08 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.435 ' ND2' ' HA ' ' A' ' 21' ' ' PRO . 13.5 t-20 49.7 65.23 7.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.45 ' HB2' ' CG2' ' A' ' 85' ' ' VAL . 18.3 Cg_endo -74.95 158.48 42.38 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.429 1.752 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.69 ' O ' HG23 ' A' ' 85' ' ' VAL . 20.5 m -116.43 158.34 23.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.438 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -65.44 -29.6 70.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -51.48 55.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 14.3 pt-20 -73.57 -44.5 57.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 81' ' ' THR . 52.3 t -55.52 -38.68 50.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.174 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.1 t -56.2 -34.06 65.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.66 -39.43 84.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.015 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.07 15.14 63.23 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -95.06 19.31 10.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 0.816 . . . . 0.0 109.347 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.6 p -115.14 -12.77 11.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.341 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.79 6.2 58.94 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.576 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 26.4 m-70 -79.77 154.5 28.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.784 . . . . 0.0 109.6 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -121.38 163.36 18.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.525 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 3.1 mm-40 -82.05 112.13 18.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 71' ' ' GLY . . . -131.5 153.31 49.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.363 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 70' ' ' ALA . 71.8 t -137.61 141.52 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.564 ' HB2' ' CE1' ' A' ' 179' ' ' PHE . 27.3 ttp180 -92.31 136.83 32.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 110.234 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.542 HG12 ' CG ' ' A' ' 59' ' ' PHE . 3.3 mp -128.17 121.79 56.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.657 HG22 HG12 ' A' ' 44' ' ' ILE . 48.9 t -109.14 101.13 12.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.554 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 8.1 p90 -125.75 170.32 11.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -104.21 134.82 19.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.05 -1.27 11.02 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.18 -13.66 23.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.979 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.9 t -114.03 -48.49 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.536 HG23 ' CD1' ' A' ' 100' ' ' TYR . 4.9 tp -123.24 142.15 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.589 1.181 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.2 p -109.19 157.74 18.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.033 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.565 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 4.8 p90 -61.38 -30.69 70.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.565 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.6 tt0 -66.67 -33.53 75.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -75.29 -45.39 40.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.554 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 46.7 mt -56.84 -41.57 78.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.547 ' HB3' ' CZ2' ' A' ' 115' ' ' TRP . 18.3 mt -68.63 -44.87 73.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -53.74 -45.61 70.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.594 HG21 HD11 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -70.32 -39.2 76.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.41 ' HA ' ' HE1' ' A' ' 49' ' ' MET . 12.4 t80 -56.74 -37.79 71.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.547 ' CZ2' ' HB3' ' A' ' 111' ' ' LEU . 5.8 m0 -71.58 -17.73 62.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -84.12 -35.35 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 0.0 110.249 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.651 HD22 HD22 ' A' ' 58' ' ' LEU . 4.0 t-20 -91.06 -21.35 21.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.083 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.6 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 13.1 t-80 -65.43 146.57 54.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.619 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.6 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 3.5 m-20 -107.48 152.22 41.26 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 173.03 15.22 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.748 ' HB2' HG13 ' A' ' 169' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.413 1.071 . . . . 0.0 109.3 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 94' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -87.09 39.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.21 150.95 38.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.5 p -102.23 121.91 43.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.97 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.457 ' H ' ' HB3' ' A' ' 48' ' ' ALA . . . -151.07 162.13 41.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.498 HG22 ' HD3' ' A' ' 140' ' ' PRO . 44.7 mt -120.88 132.84 69.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.083 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -126.46 81.23 68.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.498 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.2 Cg_endo -74.97 168.17 25.44 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.792 . . . . 0.0 110.964 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.9 mp -116.14 -37.99 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 64.3 p -90.15 159.15 42.9 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.401 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -36.15 2.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -64.24 -37.74 88.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -71.48 -32.22 68.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -47.12 70.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -59.19 -40.86 87.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.3 -43.15 67.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.02 -58.98 6.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -59.16 -31.09 68.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -63.42 -35.6 80.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.521 ' OG ' ' CZ2' ' A' ' 115' ' ' TRP . 1.4 m -65.22 -42.52 93.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.52 ' C ' HD23 ' A' ' 153' ' ' LEU . 8.0 tt -61.62 -42.45 98.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -62.42 -45.57 92.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.358 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -70.45 -31.95 69.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.78 -41.28 92.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.447 ' O ' ' CG ' ' A' ' 160' ' ' MET . 17.7 tt0 -65.59 -45.03 84.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.319 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.08 -31.72 68.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.251 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.4 -48.77 76.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.48 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 3.1 ptt? -68.11 -32.95 73.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.48 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.0 OUTLIER -60.93 -43.42 98.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.59 -22.15 66.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 1.073 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -80.89 -6.1 58.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.4 OUTLIER 75.4 29.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -116.0 108.66 16.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.166 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -87.56 47.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . 0.478 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 0.1 OUTLIER -119.58 93.82 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.364 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -62.63 145.78 53.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.601 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.748 HG13 ' HB2' ' A' ' 121' ' ' ALA . 2.9 mp -82.31 149.91 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 20.0 m -91.16 43.13 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.474 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.4 m -91.31 124.77 35.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.574 1.172 . . . . 0.0 110.397 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.67 145.81 49.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 6.1 mt -119.49 127.02 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -142.64 165.2 28.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -48.97 162.22 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.42 1.075 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -87.41 82.07 7.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . 0.491 ' CG2' ' OG1' ' A' ' 73' ' ' THR . 0.5 OUTLIER -71.62 161.62 77.55 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.444 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 98.71 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.573 1.828 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 0.4 OUTLIER -77.51 145.31 37.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -89.8 126.45 35.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.481 ' HB3' HG21 ' A' ' 24' ' ' VAL . 32.3 m-85 -48.07 170.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -118.17 174.73 6.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -50.82 141.53 13.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -59.99 -28.8 68.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -35.73 81.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.241 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -79.33 -35.03 41.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -50.1 112.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.449 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 7.2 mp0 45.54 56.73 5.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.796 ' CD1' ' CH2' ' A' ' 53' ' ' TRP . 13.1 t80 -85.46 -32.31 22.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.045 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.487 ' CD1' ' HA2' ' A' ' 54' ' ' GLY . 0.4 OUTLIER -73.73 -34.69 64.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -31.27 63.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.652 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -66.32 -27.18 67.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.97 97.87 10.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.475 1.777 . . . . 0.0 111.036 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.444 ' HA ' ' OD1' ' A' ' 79' ' ' ASN . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 111.036 -0.409 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.0 mtp -70.56 150.67 95.55 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 124.8 8.89 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.443 1.759 . . . . 0.0 111.054 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.693 HG21 ' HB3' ' A' ' 181' ' ' TYR . 49.8 t -137.46 140.01 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.38 150.46 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.771 HG22 HD13 ' A' ' 27' ' ' LEU . 2.3 m -77.45 -42.81 34.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.771 HD13 HG22 ' A' ' 26' ' ' THR . 0.1 OUTLIER -107.93 131.81 54.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.561 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 15.4 t-80 -50.71 155.93 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 109.609 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.452 ' HB3' ' CB ' ' A' ' 188' ' ' GLN . . . -84.9 -27.39 26.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 1.043 HG11 ' CD2' ' A' ' 60' ' ' TRP . 51.9 t -91.8 -67.4 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 11.6 t30 -55.83 -40.34 72.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.2 20.04 70.7 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.568 1.168 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -134.15 170.26 15.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 0.738 . . . . 0.0 109.592 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' HIS . 11.4 m -39.38 145.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.18 -38.86 9.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 t -90.73 20.34 4.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 110.384 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -93.94 127.35 39.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.625 HG22 HG11 ' A' ' 99' ' ' VAL . 17.4 t -137.58 99.78 9.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 134.92 18.31 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.65 125.1 2.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.29 1.01 31.31 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.443 1.089 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.449 ' HE2' ' OD1' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -104.09 165.64 10.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 0.747 . . . . 0.0 110.979 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.62 152.61 42.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.919 ' O ' HD12 ' A' ' 141' ' ' LEU . 3.2 mt -104.95 148.98 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.652 ' HB1' ' HE1' ' A' ' 47' ' ' PHE . . . -138.11 131.92 31.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.889 HG21 ' CE2' ' A' ' 179' ' ' PHE . 97.1 mt -120.52 135.19 61.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.652 ' HE1' ' HB1' ' A' ' 45' ' ' ALA . 78.5 m-85 -146.38 165.33 29.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 136' ' ' SER . . . -139.41 133.04 30.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 109.227 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.654 ' HB2' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -149.42 -172.25 4.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' PHE . . . -69.96 -80.97 0.25 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.893 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -62.08 82.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.842 ' CZ ' ' HB1' ' A' ' 70' ' ' ALA . 73.7 t80 -61.34 -28.15 69.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.475 ' HB3' HD23 ' A' ' 190' ' ' LEU . 8.3 m0 -82.39 -40.43 21.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 107.982 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.23 -28.37 62.19 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.491 1.12 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 51' ' ' CYS . 42.9 t -66.31 -60.36 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 0.785 . . . . 0.0 109.279 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 59' ' ' PHE . 12.5 pt-20 -49.24 -38.76 27.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.536 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 7.6 mmp_? -70.46 -38.47 74.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 110.307 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.638 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -65.87 -20.12 66.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.582 ' O ' HG21 ' A' ' 65' ' ' VAL . 2.1 m-85 -81.94 -53.73 5.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 1.043 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -70.19 -50.98 34.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 108.006 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.645 ' NE2' ' CZ2' ' A' ' 60' ' ' TRP . 1.4 mm-40 -50.34 -20.79 1.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.635 HD23 HG23 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -81.09 139.81 49.4 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.4 Cg_endo -74.93 108.6 2.75 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.469 1.773 . . . . 0.0 111.072 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.496 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 139.07 -21.83 2.96 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.635 HG23 HD23 ' A' ' 62' ' ' LEU . 41.4 t -85.99 123.07 39.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.404 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 9.1 t80 -81.18 -55.28 4.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 m -147.23 165.81 28.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.704 HG22 HG23 ' A' ' 98' ' ' ILE . 26.5 p -147.97 160.82 42.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.404 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.553 ' HB3' ' CG ' ' A' ' 97' ' ' ARG . . . -148.8 142.65 25.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.842 ' HB1' ' CZ ' ' A' ' 52' ' ' PHE . . . -102.16 127.43 49.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 95' ' ' ALA . . . -141.81 -170.77 12.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.145 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.609 ' CE1' HG11 ' A' ' 85' ' ' VAL . 93.0 m-85 -124.96 153.76 42.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.581 HG21 ' CZ ' ' A' ' 179' ' ' PHE . 8.8 t -153.19 162.07 41.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.449 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.61 -11.84 54.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 111.043 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.566 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -80.72 169.47 52.27 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -114.76 -18.92 11.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.483 ' CG2' ' HB3' ' A' ' 80' ' ' PRO . 94.8 m -77.92 131.03 71.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.358 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.4 Cg_endo -75.02 119.33 5.6 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.508 1.794 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.444 ' OD1' ' HA ' ' A' ' 21' ' ' PRO . 45.0 m-80 40.01 65.68 3.66 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.564 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.97 177.34 8.71 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.556 1.819 . . . . 0.0 111.06 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.45 ' OG1' ' CB ' ' A' ' 84' ' ' GLU . 71.8 p -95.39 152.73 18.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.356 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -54.16 -45.42 72.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.159 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -35.29 79.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.482 ' HG2' ' CG2' ' A' ' 90' ' ' THR . 38.6 tt0 -72.36 -34.02 67.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.434 1.084 . . . . 0.0 110.278 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.609 HG11 ' CE1' ' A' ' 72' ' ' TYR . 3.2 t -70.09 -40.01 77.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.3 p -63.96 -27.44 69.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 53.7 m -62.47 -36.26 81.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.36 15.76 61.65 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -91.89 -0.26 57.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.482 ' CG2' ' HG2' ' A' ' 84' ' ' GLU . 12.4 p -108.26 -25.32 11.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.38 25.04 69.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.566 ' CG ' ' HA3' ' A' ' 75' ' ' GLY . 29.7 m-70 -83.09 145.8 29.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 0.774 . . . . 0.0 109.648 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -116.6 159.17 22.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.58 ' CG ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -76.76 111.04 11.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 110.253 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 71' ' ' GLY . . . -142.77 151.13 40.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.709 ' CG1' ' CE1' ' A' ' 52' ' ' PHE . 10.4 m -142.38 149.2 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.553 ' CG ' ' HB3' ' A' ' 69' ' ' ALA . 0.5 OUTLIER -103.8 144.85 30.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.704 HG23 HG22 ' A' ' 68' ' ' THR . 4.5 mp -134.15 134.13 55.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.826 HG22 ' CG1' ' A' ' 44' ' ' ILE . 88.2 t -113.46 102.49 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.346 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -120.47 179.54 4.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.449 ' OD1' ' HE2' ' A' ' 42' ' ' MET . 0.5 OUTLIER -105.82 131.27 21.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -3.14 13.49 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.519 1.799 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 t -95.21 -26.87 15.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.496 HG11 ' HA2' ' A' ' 64' ' ' GLY . 84.4 t -85.65 -49.14 15.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.576 ' CD1' HD21 ' A' ' 62' ' ' LEU . 14.8 tt -131.64 155.61 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 92.9 p -101.09 152.06 21.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.04 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.605 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 25.3 p90 -56.73 -37.37 70.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.657 ' HA ' HD12 ' A' ' 111' ' ' LEU . 20.4 pt-20 -61.82 -39.45 91.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -59.58 -47.03 87.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.249 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 18.6 mt -59.74 -39.84 86.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.657 HD12 ' HA ' ' A' ' 108' ' ' GLU . 4.5 mt -69.86 -29.43 66.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.235 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.544 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 2.9 tt0 -58.1 -50.87 71.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.447 HG22 ' OD1' ' A' ' 117' ' ' ASN . 0.6 OUTLIER -73.03 -34.39 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.774 ' CE2' HD11 ' A' ' 138' ' ' ILE . 87.0 t80 -54.13 -38.06 65.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.178 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.544 ' CE3' ' HA ' ' A' ' 112' ' ' GLN . 3.9 m0 -74.72 -25.96 59.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 108.05 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -80.88 -36.05 31.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.463 ' HB2' ' CE ' ' A' ' 49' ' ' MET . 34.2 m120 -93.59 5.34 51.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.512 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -72.65 171.75 11.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.603 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.512 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 0.9 OUTLIER -114.8 146.27 35.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 156.5 42.7 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.811 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 167' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.425 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 25.7 p90 -117.97 127.72 54.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -144.35 128.35 17.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.085 . . . . 0.0 110.273 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 14.6 m -64.81 107.79 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -142.85 144.72 32.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.393 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.774 HD11 ' CE2' ' A' ' 114' ' ' PHE . 50.2 mt -110.07 132.95 56.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -126.92 80.84 70.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.528 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.4 Cg_endo -75.03 167.37 27.16 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.456 1.766 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.919 HD12 ' O ' ' A' ' 44' ' ' ILE . 7.1 mt -108.64 -56.7 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.4 p -76.68 163.99 62.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.411 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -35.55 3.05 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.546 1.814 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.89 -36.41 74.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.372 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.422 ' HG2' ' CB ' ' A' ' 107' ' ' TYR . 45.9 mt-30 -72.98 -43.98 61.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.72 -43.06 72.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.98 -50.21 43.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 109.332 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -55.97 -48.02 76.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.84 -58.46 7.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.367 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -56.05 -39.04 71.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.3 -45.5 80.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.515 ' CB ' ' CZ2' ' A' ' 115' ' ' TRP . 7.8 p -69.01 -42.15 76.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 0.0 109.957 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.629 ' O ' HD23 ' A' ' 153' ' ' LEU . 3.5 tt -58.68 -52.45 65.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.214 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.13 -29.89 70.65 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -75.93 -53.93 7.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.25 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -54.55 -46.37 73.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -59.39 -46.93 87.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 110.221 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.07 81.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.22 -43.6 95.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.515 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 9.8 ttp -62.58 -37.93 88.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -39.61 94.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.52 -20.26 64.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 160' ' ' MET . . . -77.15 -7.57 56.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.4 t70 81.79 24.87 0.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 109.255 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.05 122.13 45.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -92.24 7.54 42.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . 0.427 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 18.2 mtt180 -83.27 75.66 9.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.436 ' NE2' ' O ' ' A' ' 169' ' ' ILE . 3.0 t-80 -61.72 140.44 58.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.565 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.655 HG22 HG23 ' A' ' 171' ' ' THR . 1.0 OUTLIER -79.29 142.47 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 1.5 t -92.81 56.24 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.655 HG23 HG22 ' A' ' 169' ' ' ILE . 5.4 p -90.41 124.72 35.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.409 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -121.68 133.46 54.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.36 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 21.6 mt -109.4 121.85 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -137.07 168.29 19.88 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -54.05 163.18 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -93.0 67.0 4.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . 0.582 HG22 ' CE1' ' A' ' 179' ' ' PHE . 0.5 OUTLIER -59.6 163.95 6.2 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.404 1.065 . . . . 0.0 110.364 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . 0.404 ' HD2' ' OG1' ' A' ' 177' ' ' THR . 18.0 Cg_endo -75.0 105.68 2.13 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.44 1.758 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.889 ' CE2' HG21 ' A' ' 46' ' ' ILE . 10.7 m-30 -85.28 147.37 26.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.082 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . 0.409 ' O ' ' O ' ' A' ' 181' ' ' TYR . 59.8 m-85 -88.68 119.22 28.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.693 ' HB3' HG21 ' A' ' 24' ' ' VAL . 18.2 m-85 -46.51 174.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -118.55 173.99 6.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . 0.474 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 0.4 OUTLIER -42.55 132.55 3.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -55.39 -23.15 23.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.83 -44.01 82.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.339 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . 0.474 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 75.7 m-70 -68.48 -37.43 80.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.598 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 0.624 ' OE1' ' HB3' ' A' ' 70' ' ' ALA . 14.6 mm100 -49.47 108.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.349 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.452 ' CB ' ' HB3' ' A' ' 29' ' ' ALA . 4.8 mp0 59.49 44.96 14.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.554 ' CD1' ' C ' ' A' ' 189' ' ' TYR . 0.6 OUTLIER -85.14 -24.43 27.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' A' ' 190' ' ' LEU . 0.4 OUTLIER -74.58 -46.56 37.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.433 ' N ' ' HD2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -65.21 -29.03 69.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.574 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.87 -29.59 70.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.3 OUTLIER -139.05 108.72 7.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.415 1.745 . . . . 0.0 110.96 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.75 135.72 63.69 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.587 1.179 . . . . 0.0 110.959 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 127.12 10.44 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.461 1.769 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.6 HG21 ' HB3' ' A' ' 181' ' ' TYR . 91.0 t -116.13 127.52 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -40.66 154.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.626 ' C ' HD13 ' A' ' 27' ' ' LEU . 51.1 m -80.65 -45.16 17.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.572 1.17 . . . . 0.0 110.386 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.626 HD13 ' C ' ' A' ' 26' ' ' THR . 0.1 OUTLIER -112.78 148.77 34.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.57 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 20.6 t-80 -56.29 157.42 4.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.588 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.23 -25.91 27.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.948 HG11 ' CD2' ' A' ' 60' ' ' TRP . 45.8 t -95.11 -67.89 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 66' ' ' TYR . 1.4 t30 -56.31 -38.29 71.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.35 14.83 79.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.488 ' CG ' ' N ' ' A' ' 34' ' ' SER . 22.5 t60 -126.96 163.48 23.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.763 . . . . 0.0 109.573 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.488 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -42.72 131.54 3.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.1 ptm -99.59 -14.19 19.09 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.515 HG23 ' N ' ' A' ' 37' ' ' ASN . 8.9 t -96.36 -53.75 3.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.446 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.515 ' N ' HG23 ' A' ' 36' ' ' THR . 2.8 m-20 -55.02 133.4 48.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 1.04 HG21 HD11 ' A' ' 44' ' ' ILE . 78.8 t -122.85 102.86 37.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 40' ' ' ASP . 18.1 Cg_endo -75.02 139.68 24.5 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.557 1.82 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' PRO . 38.5 m-20 -40.04 125.39 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.574 1.171 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.26 2.82 29.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.626 1.204 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.3 mmt -114.79 151.57 33.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.578 0.81 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 2.5 mm-40 -135.8 150.17 49.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.344 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 1.04 HD11 HG21 ' A' ' 38' ' ' VAL . 3.7 mt -107.77 152.38 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.41 130.57 15.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 109.366 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.547 HG22 ' HD2' ' A' ' 139' ' ' TYR . 7.3 mt -109.39 138.08 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.499 ' CG ' ' CZ ' ' A' ' 114' ' ' PHE . 23.7 m-85 -149.54 165.03 33.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 111.048 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -133.71 127.84 33.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.573 ' HB3' HG21 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -139.28 158.31 44.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 110.943 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.0 -62.32 3.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.03 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.669 ' CB ' HG23 ' A' ' 55' ' ' VAL . 1.2 m -62.51 -179.63 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.566 ' CE1' ' HB1' ' A' ' 70' ' ' ALA . 5.0 t80 -145.51 -68.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.839 ' HE1' ' HD1' ' A' ' 186' ' ' HIS . 36.9 m0 -66.26 -34.73 78.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 107.987 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.06 -27.58 57.95 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.669 HG23 ' CB ' ' A' ' 51' ' ' CYS . 28.9 t -69.27 -62.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -38.84 39.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.486 ' CZ ' ' CD ' ' A' ' 61' ' ' GLN . 34.4 ttt85 -75.88 -24.69 55.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.334 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.3 -22.08 57.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.772 ' CE2' HD11 ' A' ' 98' ' ' ILE . 16.7 m-85 -82.65 -56.62 3.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.948 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -56.36 -55.66 30.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 108.065 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.553 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 3.7 mt-30 -49.22 -22.49 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.329 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.693 HD11 HG21 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -77.11 139.92 65.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.07 110.87 3.2 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.547 1.814 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.45 ' HA2' ' CG1' ' A' ' 104' ' ' VAL . . . 131.91 -17.0 4.96 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 38.0 t -90.45 125.97 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 4.5 t80 -81.19 -57.19 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.0 p -150.63 162.34 40.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.406 HG21 ' HB2' ' A' ' 59' ' ' PHE . 67.1 p -137.28 160.21 39.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.453 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' CE2' ' A' ' 179' ' ' PHE . . . -147.21 128.58 14.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.566 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -92.29 140.24 29.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.576 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -170.96 -157.34 12.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -140.87 153.65 45.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.781 HG23 ' HB3' ' A' ' 95' ' ' ALA . 3.2 p -147.04 174.53 11.46 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.44 1.087 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.31 -10.91 57.52 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.518 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -88.96 164.35 32.44 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -111.24 -20.85 12.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 22.2 m -74.79 127.39 87.15 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.466 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.3 Cg_endo -75.0 162.14 37.62 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.415 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 2.0 m120 40.44 64.64 4.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.538 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -75.05 129.93 12.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.482 ' O ' HG23 ' A' ' 85' ' ' VAL . 85.2 m -103.02 164.72 11.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.419 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -60.53 -39.03 86.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -45.69 61.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.14 -44.97 94.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.35 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 81' ' ' THR . 43.0 t -59.93 -39.84 81.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.2 m -62.18 -24.87 67.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.059 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.6 m -65.33 -38.2 89.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.031 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 82.42 5.63 89.38 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.91 4.21 54.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.75 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.6 p -101.02 -17.22 16.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.394 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.54 9.5 55.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.439 1.087 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.538 ' CD2' ' HB3' ' A' ' 80' ' ' PRO . 28.7 m-70 -73.59 150.04 41.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 0.8 . . . . 0.0 109.624 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -123.29 160.89 25.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.88 111.93 10.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.781 ' HB3' HG23 ' A' ' 73' ' ' THR . . . -143.95 162.07 37.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 109.234 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' A' ' 70' ' ' ALA . 8.1 m -149.91 153.49 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.516 ' CG ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -97.34 139.04 33.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.338 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.772 HD11 ' CE2' ' A' ' 59' ' ' PHE . 3.9 mt -129.32 116.18 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.579 HG22 ' CG1' ' A' ' 44' ' ' ILE . 59.5 t -101.6 102.86 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -125.33 169.29 12.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.401 1.063 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.37 131.2 21.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.246 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.4 Cg_endo -75.04 -0.68 10.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.535 1.808 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.58 -22.71 18.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.999 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.45 ' CG1' ' HA2' ' A' ' 64' ' ' GLY . 57.6 t -97.85 -46.52 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 102' ' ' PRO . 9.0 tt -129.38 157.46 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 82.6 p -107.78 159.82 16.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 0.0 109.974 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.512 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 32.6 p90 -60.15 -33.28 71.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.512 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 8.4 pt-20 -70.61 -31.05 67.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.414 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 30.6 mt-30 -64.6 -44.33 90.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.1 mt -62.67 -49.55 74.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.56 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 5.8 mt -57.09 -35.32 69.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.388 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -52.91 63.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 110.362 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.693 HG21 HD11 ' A' ' 62' ' ' LEU . 1.9 t -66.61 -44.84 89.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.536 ' CZ ' ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -51.09 -52.24 45.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.41 1.069 . . . . 0.0 110.978 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.567 ' CH2' ' HG ' ' A' ' 153' ' ' LEU . 39.0 m95 -66.98 -19.89 65.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 107.999 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -79.89 -37.96 33.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.241 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -93.86 -3.89 51.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -71.76 158.26 36.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.388 1.055 . . . . 0.0 109.593 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.89 143.41 27.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 159.92 40.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.367 1.72 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.464 ' HB3' ' HB3' ' A' ' 167' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.481 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 34.7 p90 -111.08 125.09 53.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.593 1.183 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 12.5 ptt85 -148.59 172.27 14.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.358 1.036 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.7 m -97.05 117.52 31.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.057 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -146.32 166.53 26.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.486 HG23 ' CE2' ' A' ' 47' ' ' PHE . 5.8 mt -125.08 131.09 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.256 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.547 ' HD2' HG22 ' A' ' 46' ' ' ILE . 44.9 m-85 -127.9 82.95 67.42 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.958 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.882 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.4 Cg_endo -75.04 166.13 29.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.2 8.66 19.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 29.2 p -146.21 161.19 40.18 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -36.74 2.34 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -62.98 -34.25 77.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.339 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -73.2 -36.95 66.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . 0.437 ' OD1' HG22 ' A' ' 173' ' ' ILE . 0.2 OUTLIER -65.65 -44.67 85.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -66.27 -39.19 89.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -68.37 -47.2 68.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 153' ' ' LEU . . . -55.99 -59.44 4.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 109.277 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -58.84 -43.94 90.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -54.37 -44.32 72.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.173 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.1 p -78.39 -32.37 48.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 1.038 HD11 ' CG2' ' A' ' 171' ' ' THR . 2.8 tt -59.77 -53.92 52.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 158' ' ' ALA . 12.7 pt-20 -67.1 -41.75 85.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -55.74 -39.41 71.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -79.27 -55.41 5.1 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.563 1.165 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.535 ' CD ' HG21 ' A' ' 169' ' ' ILE . 67.2 mm-40 -57.27 -37.45 72.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 110.265 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 154' ' ' GLU . . . -59.56 -39.7 84.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.48 98.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 11.8 ttp -65.78 -41.25 92.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.544 1.153 . . . . 0.0 111.045 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -30.14 70.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.51 -19.14 65.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.241 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -88.15 11.31 16.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.343 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.53 37.09 10.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -95.51 109.17 21.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 168' ' ' HIS . 1.9 p-10 -72.99 -6.09 43.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . 0.464 ' HB3' ' HB3' ' A' ' 121' ' ' ALA . 0.0 OUTLIER -68.46 68.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.505 ' O ' ' CD2' ' A' ' 168' ' ' HIS . 2.2 p-80 -68.46 120.75 15.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.581 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.535 HG21 ' CD ' ' A' ' 157' ' ' GLN . 0.1 OUTLIER -66.73 142.27 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 62.7 m -108.94 51.68 0.74 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 110.417 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 1.038 ' CG2' HD11 ' A' ' 153' ' ' LEU . 3.6 t -91.56 136.34 33.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.093 . . . . 0.0 110.433 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.33 139.34 52.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . 0.583 HD11 HD12 ' A' ' 153' ' ' LEU . 10.6 mt -114.09 122.87 69.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -135.49 161.67 34.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -44.87 162.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.247 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . 0.882 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -73.6 87.07 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.334 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . 0.43 ' O ' HD13 ' A' ' 46' ' ' ILE . 27.9 p -59.1 164.2 4.89 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -74.98 112.9 3.67 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.544 1.813 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -76.62 136.82 39.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 181' ' ' TYR . 0.5 OUTLIER -112.08 106.42 15.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.6 ' HB3' HG21 ' A' ' 24' ' ' VAL . 36.1 m-85 -38.38 158.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.576 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -122.67 175.67 6.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 182' ' ' ALA . 0.0 OUTLIER -37.25 140.01 0.21 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -60.37 -24.65 65.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.56 -42.02 95.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . 0.839 ' HD1' ' HE1' ' A' ' 53' ' ' TRP . 79.5 m-70 -63.14 -43.46 98.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 0.0 109.597 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -47.85 108.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.568 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 11.6 mp0 53.32 58.45 5.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.238 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.409 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 8.7 t80 -86.28 -27.94 24.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.48 ' HB3' ' CD ' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -76.49 -47.05 24.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.401 1.063 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.806 ' ND1' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -58.9 -28.73 66.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.673 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -32.11 73.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.9 OUTLIER -138.98 109.3 7.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.223 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.593 1.838 . . . . 0.0 111.008 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.4 mtp -71.1 146.97 93.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 137.92 22.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.529 1.805 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.754 HG21 ' HB3' ' A' ' 181' ' ' TYR . 70.1 t -128.82 139.18 52.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.06 152.63 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.353 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.888 ' C ' HD13 ' A' ' 27' ' ' LEU . 17.5 m -79.04 -44.5 22.07 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.474 1.109 . . . . 0.0 110.379 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.888 HD13 ' C ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -111.2 142.12 43.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.567 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 16.3 t-80 -50.52 156.44 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.642 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 188' ' ' GLN . . . -85.05 -25.76 27.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.963 HG11 ' CD2' ' A' ' 60' ' ' TRP . 56.0 t -95.26 -67.06 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -56.27 -38.0 70.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.96 17.03 75.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.488 ' CG ' ' N ' ' A' ' 34' ' ' SER . 25.4 t60 -132.06 163.36 28.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 0.774 . . . . 0.0 109.601 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.488 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 19.0 t -46.7 131.71 11.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.18 -29.15 13.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.957 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 t -75.81 -34.7 60.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.068 . . . . 0.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -64.29 130.64 44.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.576 ' CG2' HD11 ' A' ' 44' ' ' ILE . 77.8 t -116.9 104.56 50.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 40' ' ' ASP . 18.4 Cg_endo -75.01 133.43 16.57 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.546 1.814 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -39.99 122.64 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.41 ' O ' ' OD1' ' A' ' 101' ' ' ASP . . . 104.56 -5.68 44.35 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.469 1.106 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.5 ' HE2' ' OD1' ' A' ' 101' ' ' ASP . 31.2 tpp -97.2 140.54 31.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 0.731 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -126.64 154.85 43.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.723 HG12 HG22 ' A' ' 99' ' ' VAL . 3.2 mt -114.96 147.85 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.84 129.88 33.07 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.478 HG23 ' CE1' ' A' ' 179' ' ' PHE . 21.1 mt -103.09 125.94 57.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.597 ' HE1' HG23 ' A' ' 138' ' ' ILE . 34.2 m-85 -141.35 164.12 31.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.959 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -143.94 126.94 16.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.768 ' HB2' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -136.23 -172.53 3.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 111.02 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' PHE . . . -61.68 -100.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.508 ' O ' HG23 ' A' ' 55' ' ' VAL . 76.9 m -65.57 78.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' A' ' 53' ' ' TRP . 32.6 p90 -46.09 -42.29 13.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 110.982 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.64 ' N ' ' CD1' ' A' ' 52' ' ' PHE . 1.7 m0 -54.9 -43.32 73.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 107.985 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.88 -42.46 45.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.787 HG12 ' CE2' ' A' ' 59' ' ' PHE . 47.1 t -56.98 -48.02 82.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 0.767 . . . . 0.0 109.323 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -41.75 84.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.452 ' NH1' ' OE1' ' A' ' 61' ' ' GLN . 44.7 ttt-85 -68.22 -54.72 15.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -23.11 41.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.787 ' CE2' HG12 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -75.94 -65.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 111.066 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.963 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -57.84 -51.28 70.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 108.024 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.581 ' HG2' ' CZ2' ' A' ' 60' ' ' TRP . 25.9 mt-30 -48.79 -22.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.644 HD23 ' HD2' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -73.22 144.06 84.06 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.644 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.08 116.02 4.45 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.6 -20.99 6.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.626 HG21 ' O ' ' A' ' 59' ' ' PHE . 65.1 t -81.73 116.01 25.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.423 0.72 . . . . 0.0 109.308 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.437 ' N ' ' O ' ' A' ' 99' ' ' VAL . 1.9 t80 -75.12 -49.85 18.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.398 1.061 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.7 m -158.62 164.1 36.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.451 HG22 ' HA ' ' A' ' 98' ' ' ILE . 70.9 p -143.86 157.43 44.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.379 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -135.07 160.03 39.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -122.12 116.4 24.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.361 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -142.46 -163.33 9.63 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.437 1.086 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -125.45 157.57 36.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 0.737 . . . . 0.0 110.961 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.2 t -160.13 160.76 33.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.595 1.184 . . . . 0.0 110.403 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.33 -11.03 73.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.48 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -88.33 168.02 36.32 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -108.98 -23.0 11.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.417 HG21 ' OE2' ' A' ' 84' ' ' GLU . 4.0 m -75.07 123.27 88.79 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 154.73 43.21 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.411 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 6.9 m120 48.77 64.81 8.02 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.56 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 18.5 Cg_endo -74.94 141.3 26.65 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.556 1.819 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.5 m -110.99 162.82 14.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.376 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -55.04 -48.48 73.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.89 -31.24 66.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.431 ' OE1' ' HA ' ' A' ' 80' ' ' PRO . 2.5 tt0 -63.35 -43.03 98.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 56.9 t -68.47 -41.72 83.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 t -54.8 -24.32 22.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.054 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -39.16 78.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.41 10.41 85.37 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -100.03 8.33 44.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.8 p -104.35 -17.46 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.9 16.82 70.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.56 ' CD2' ' HB3' ' A' ' 80' ' ' PRO . 40.4 m-70 -82.19 155.45 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.549 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -129.26 153.13 48.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.495 ' OE1' ' CG ' ' A' ' 52' ' ' PHE . 5.0 mm-40 -72.45 123.67 23.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.417 ' CB ' ' CZ ' ' A' ' 179' ' ' PHE . . . -144.07 160.61 40.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.515 HG23 HD11 ' A' ' 98' ' ' ILE . 23.4 m -134.32 147.66 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.812 ' C ' HD12 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -97.49 145.41 26.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.812 HD12 ' C ' ' A' ' 97' ' ' ARG . 3.7 mp -133.32 129.65 56.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.723 HG22 HG12 ' A' ' 44' ' ' ILE . 26.4 t -125.54 106.68 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.185 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.706 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 39.7 p90 -133.62 179.98 5.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.5 ' OD1' ' HE2' ' A' ' 42' ' ' MET . 7.6 m-20 -113.41 135.19 21.84 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.99 0.51 8.81 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.517 1.799 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.3 t -92.12 -16.3 26.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 0.0 109.98 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 72.7 t -115.99 -47.0 4.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.425 1.078 . . . . 0.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.793 HD13 ' N ' ' A' ' 106' ' ' SER . 0.2 OUTLIER -127.49 130.94 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.793 ' N ' HD13 ' A' ' 105' ' ' ILE . 6.6 p -95.75 157.98 15.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.923 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.464 ' CB ' ' HG2' ' A' ' 145' ' ' GLN . 45.9 p90 -66.52 -36.21 82.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.456 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.4 tt0 -55.12 -39.94 69.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.251 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.448 ' HB2' HD11 ' A' ' 105' ' ' ILE . 32.7 mt-30 -72.13 -40.03 68.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 0.0 110.268 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.706 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 31.5 mt -55.85 -43.18 76.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.547 ' O ' ' CD2' ' A' ' 115' ' ' TRP . 12.4 mt -65.56 -33.61 76.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.486 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 16.3 tt0 -58.0 -50.91 71.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.456 1.098 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.88 -33.48 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 118' ' ' HIS . 5.8 t80 -53.66 -48.71 69.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 110.99 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.56 ' CZ2' ' HB2' ' A' ' 152' ' ' SER . 1.2 m0 -66.47 -20.26 66.0 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -80.46 -38.08 30.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.262 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.468 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 4.9 t-20 -92.71 -9.01 42.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.598 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 42.6 t-80 -70.84 162.04 29.92 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.591 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.598 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 55.4 m-20 -103.73 136.55 19.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 159.81 40.72 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.52 ' HB2' ' HA ' ' A' ' 169' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.361 -0.236 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.506 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 19.8 p90 -112.83 128.37 56.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -132.12 173.14 11.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.4 m -103.87 122.15 44.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.976 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.459 ' HB2' ' HG2' ' A' ' 172' ' ' GLU . . . -156.19 150.1 25.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.761 HG22 ' HD3' ' A' ' 140' ' ' PRO . 55.9 mt -112.99 130.74 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -130.19 78.23 74.96 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.761 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.1 Cg_endo -75.0 166.71 28.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' A' ' 176' ' ' ALA . 8.2 tp -112.4 -40.15 4.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.434 ' OG1' ' CG ' ' A' ' 145' ' ' GLN . 68.7 p -84.27 162.27 51.98 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -33.75 4.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.498 1.788 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -64.91 -49.78 69.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.464 ' HG2' ' CB ' ' A' ' 107' ' ' TYR . 86.9 mt-30 -54.84 -46.47 74.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.31 -48.38 79.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.57 92.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -67.27 -47.14 71.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.26 -55.2 36.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.242 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -40.61 95.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -57.47 -37.47 72.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.428 1.08 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.56 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 10.2 p -74.52 -41.71 60.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.998 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.736 ' C ' HD23 ' A' ' 153' ' ' LEU . 3.2 tt -63.15 -50.83 68.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.158 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -56.65 -37.34 70.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.362 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 159' ' ' ALA . 0.0 OUTLIER -75.65 -55.16 5.92 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.475 ' CD1' HG21 ' A' ' 169' ' ' ILE . 8.0 t80 -45.7 -46.61 14.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' A' ' 160' ' ' MET . 1.3 tt0 -61.48 -42.49 98.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.27 -31.45 67.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.243 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 155' ' ' ARG . . . -62.99 -48.81 77.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.214 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.508 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 7.6 ptm -68.09 -32.91 73.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.508 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -65.99 -41.08 91.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.06 -23.04 67.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.417 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -83.71 -6.18 59.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 8.0 t0 75.67 34.06 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -101.76 121.64 42.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 109.363 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.08 15.73 8.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -91.09 84.61 5.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.569 ' CE1' ' O ' ' A' ' 169' ' ' ILE . 0.1 OUTLIER -61.6 136.59 58.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.605 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.85 HG13 HG22 ' A' ' 171' ' ' THR . 6.3 pt -69.15 140.79 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.073 . . . . 0.0 109.348 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 8.8 t -96.86 36.2 1.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.402 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.85 HG22 HG13 ' A' ' 169' ' ' ILE . 2.1 t -92.65 128.09 38.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . 0.459 ' HG2' ' HB2' ' A' ' 137' ' ' ALA . 10.3 pt-20 -119.1 139.41 51.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 4.9 mt -124.8 127.64 72.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -149.89 171.21 17.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.367 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -43.2 164.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -84.26 87.56 7.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . 0.483 ' HB ' ' HD2' ' A' ' 178' ' ' PRO . 25.2 p -59.14 165.38 3.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . 0.483 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.3 Cg_endo -74.96 118.44 5.27 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.478 ' CE1' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -76.54 145.62 38.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.959 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . 0.463 ' O ' ' C ' ' A' ' 181' ' ' TYR . 17.2 m-85 -118.68 91.29 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 111.071 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.754 ' HB3' HG21 ' A' ' 24' ' ' VAL . 14.0 m-85 -32.85 139.67 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -100.01 175.53 5.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -47.31 137.92 7.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.19 -23.43 62.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.3 -41.8 98.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -78.68 -28.15 45.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.64 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 0.458 ' HA ' ' NE2' ' A' ' 187' ' ' GLN . 12.7 tp60 -55.54 111.93 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.567 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 3.5 mp0 48.03 55.81 8.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.348 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.454 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 1.9 t80 -85.65 -45.91 11.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 12.8 tp -63.04 -41.27 99.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.485 ' CD2' ' N ' ' A' ' 191' ' ' HIS . 0.7 OUTLIER -57.71 -28.86 64.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 109.691 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.41 -44.3 62.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -140.08 115.56 7.87 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.181 . . . . 0.0 109.254 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.21 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.737 ' HE1' HG23 ' A' ' 81' ' ' THR . 0.2 OUTLIER -82.33 145.81 52.87 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 125.88 9.52 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 110.952 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.453 HG21 ' CB ' ' A' ' 181' ' ' TYR . 2.9 t -123.75 137.24 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.13 159.9 27.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.75 HG22 HD13 ' A' ' 27' ' ' LEU . 3.0 m -82.89 -45.2 14.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 110.377 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.75 HD13 HG22 ' A' ' 26' ' ' THR . 0.1 OUTLIER -109.47 145.72 35.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.377 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.467 ' CD2' ' H ' ' A' ' 68' ' ' THR . 36.8 t-80 -54.62 164.76 0.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.643 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.472 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -84.92 -33.13 22.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.442 ' HB ' ' CE1' ' A' ' 28' ' ' HIS . 75.3 t -95.12 -63.15 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.162 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -55.84 -39.66 71.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.02 22.85 78.79 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.528 ' CG ' ' N ' ' A' ' 34' ' ' SER . 23.5 t60 -129.48 166.99 18.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 0.746 . . . . 0.0 109.619 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.528 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -41.88 141.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.434 ' CE ' ' HB2' ' A' ' 69' ' ' ALA . 2.8 mtp -98.08 -64.95 0.99 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.158 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.465 HG23 ' N ' ' A' ' 37' ' ' ASN . 15.2 t -55.25 -51.57 66.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 110.364 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.465 ' N ' HG23 ' A' ' 36' ' ' THR . 0.4 OUTLIER -55.02 131.84 45.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.812 HG22 HG11 ' A' ' 99' ' ' VAL . 3.4 t -125.86 133.01 24.5 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.405 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.1 Cg_endo -75.01 143.92 29.61 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.35 121.96 12.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.18 4.65 29.06 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.562 1.164 . . . . 0.0 111.022 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.597 ' HB3' HG13 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -109.38 165.66 11.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 111.034 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.7 158.51 43.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.737 ' CG1' HG22 ' A' ' 99' ' ' VAL . 2.6 mp -109.86 151.37 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.487 ' HB1' ' CZ ' ' A' ' 47' ' ' PHE . . . -140.52 131.26 25.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.228 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.893 HG21 ' CE2' ' A' ' 179' ' ' PHE . 97.3 mt -113.58 138.77 42.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.487 ' CZ ' ' HB1' ' A' ' 45' ' ' ALA . 49.0 m-85 -150.97 165.07 34.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -142.73 127.46 18.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.575 ' HB2' HG21 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -135.45 -174.53 3.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.404 ' O ' ' OE1' ' A' ' 94' ' ' GLU . . . -64.9 -90.12 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.14 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.889 ' O ' HG23 ' A' ' 55' ' ' VAL . 56.4 m -70.8 76.59 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.49 ' CG ' ' N ' ' A' ' 53' ' ' TRP . 49.7 p90 -51.53 -44.39 62.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.804 ' CH2' ' CD2' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -55.66 -44.82 77.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 107.975 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.47 ' O ' ' CG ' ' A' ' 57' ' ' ARG . . . -74.67 -27.82 64.38 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 51' ' ' CYS . 62.1 t -75.81 -54.48 13.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.564 0.802 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.537 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 15.7 pt-20 -48.38 -37.76 17.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.246 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.543 ' HA ' ' CE2' ' A' ' 60' ' ' TRP . 0.4 OUTLIER -77.37 -26.56 52.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.78 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -76.7 -32.3 57.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.388 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.522 ' CG ' HG12 ' A' ' 98' ' ' ILE . 2.9 m-85 -66.11 -64.48 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 111.078 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.543 ' CE2' ' HA ' ' A' ' 57' ' ' ARG . 0.7 OUTLIER -56.88 -21.17 27.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.143 . . . . 0.0 108.052 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.51 -21.09 62.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.331 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.891 HD22 HD23 ' A' ' 110' ' ' LEU . 0.5 OUTLIER -71.62 137.13 83.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 109.88 3.01 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.428 1.751 . . . . 0.0 111.047 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.27 -15.02 5.34 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.454 1.097 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.421 HG11 ' CG2' ' A' ' 68' ' ' THR . 47.7 t -78.86 124.54 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 0.8 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.432 ' N ' ' O ' ' A' ' 99' ' ' VAL . 1.3 t80 -74.99 -54.66 6.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.2 m -161.97 152.72 17.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.467 ' H ' ' CD2' ' A' ' 28' ' ' HIS . 24.6 p -136.6 156.07 49.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.584 ' HB3' ' HD3' ' A' ' 97' ' ' ARG . . . -147.05 156.18 42.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.623 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -99.26 138.46 36.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -147.14 -177.88 22.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.416 1.072 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -123.75 153.91 40.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 0.717 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.968 HG21 ' CZ ' ' A' ' 179' ' ' PHE . 3.8 t -160.02 160.17 32.94 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 0.0 110.385 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.85 -22.99 38.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.587 1.179 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.565 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -90.55 177.9 42.46 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -117.05 -18.47 10.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.1 m -73.72 123.08 89.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 110.34 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -74.97 155.44 43.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.556 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 17.9 m-80 39.33 56.91 6.22 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.628 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.5 Cg_endo -74.97 140.31 25.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.791 ' O ' HG23 ' A' ' 85' ' ' VAL . 5.1 m -93.36 151.38 19.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -50.88 -50.9 56.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -44.67 82.72 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 0.0 110.299 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 87' ' ' SER . 35.0 mt-10 -73.06 -25.41 60.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 81' ' ' THR . 42.4 t -72.9 -48.4 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.1 t -60.67 -25.78 66.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.981 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.416 ' HB3' ' O ' ' A' ' 84' ' ' GLU . 40.7 t -54.51 -40.46 68.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.431 ' CA ' ' NE2' ' A' ' 133' ' ' GLN . . . 80.41 16.94 74.86 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.401 1.063 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -98.59 -3.01 37.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.49 -29.8 10.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.82 -14.43 65.31 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.628 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 40.6 m-70 -59.17 148.22 32.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 0.75 . . . . 0.0 109.579 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -124.88 158.13 34.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.404 ' OE1' ' O ' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -70.42 123.09 20.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -146.07 158.6 43.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' A' ' 70' ' ' ALA . 17.0 m -138.49 151.58 24.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.631 ' C ' HD12 ' A' ' 98' ' ' ILE . 6.6 ptm180 -109.74 145.43 36.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.631 HD12 ' C ' ' A' ' 97' ' ' ARG . 4.4 mp -132.17 134.06 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.812 HG11 HG22 ' A' ' 38' ' ' VAL . 58.2 t -121.33 106.74 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.703 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 27.4 p90 -129.03 177.28 7.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.84 134.9 20.51 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.427 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.0 Cg_endo -75.08 1.56 7.64 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.45 -17.72 17.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.979 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.0 t -110.38 -41.96 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.57 HG23 ' CD1' ' A' ' 100' ' ' TYR . 1.0 OUTLIER -133.33 139.92 48.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.401 ' N ' HG13 ' A' ' 105' ' ' ILE . 9.4 p -96.84 159.25 15.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.031 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 20.3 p90 -66.34 -33.29 75.41 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.563 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -60.36 -36.11 77.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 110.247 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -64.84 -44.29 90.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.448 1.093 . . . . 0.0 110.283 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.891 HD23 HD22 ' A' ' 62' ' ' LEU . 23.0 mt -61.39 -45.26 95.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.547 ' O ' ' CD2' ' A' ' 115' ' ' TRP . 3.3 mt -71.88 -33.09 68.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.554 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 44.2 tt0 -59.01 -49.84 76.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.747 HG22 HD21 ' A' ' 117' ' ' ASN . 0.5 OUTLIER -72.76 -34.58 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 118' ' ' HIS . 13.3 t80 -53.97 -47.46 71.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.643 ' CZ2' ' CB ' ' A' ' 152' ' ' SER . 1.0 OUTLIER -66.61 -18.46 65.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 108.013 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -87.95 -28.73 21.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.747 HD21 HG22 ' A' ' 113' ' ' VAL . 61.5 m-80 -105.27 5.38 31.98 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 114' ' ' PHE . 24.4 t60 -84.74 152.98 23.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.54 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -105.11 146.73 33.26 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -172.09 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.456 1.766 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 167' ' ' ARG . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.431 ' NE2' ' CA ' ' A' ' 88' ' ' GLY . 28.1 mp0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -126.32 56.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.95 108.82 20.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.6 m -59.99 130.81 48.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.498 ' HB3' ' CE1' ' A' ' 139' ' ' TYR . . . -148.45 161.33 41.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.649 HG22 ' HD3' ' A' ' 140' ' ' PRO . 36.8 mt -124.65 127.69 72.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.498 ' CE1' ' HB3' ' A' ' 137' ' ' ALA . 53.1 m-85 -130.57 81.82 66.69 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.649 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.2 Cg_endo -75.01 163.64 34.93 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.558 1.82 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.802 HD22 ' HB3' ' A' ' 176' ' ' ALA . 0.2 OUTLIER -97.28 -54.27 3.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 10.4 p -79.56 163.0 61.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -36.34 2.67 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.508 1.794 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.32 -37.7 75.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -72.4 -38.5 68.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.88 -52.57 59.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -58.79 -43.61 90.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -66.31 -43.25 86.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.04 -58.86 6.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.238 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -61.68 -32.47 72.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -63.07 -47.85 81.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.643 ' CB ' ' CZ2' ' A' ' 115' ' ' TRP . 51.9 p -75.01 -34.09 61.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.832 HD11 HG23 ' A' ' 171' ' ' THR . 5.1 tt -64.49 -50.3 68.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.03 -46.93 86.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -55.11 39.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -53.35 -45.15 69.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -61.24 -40.75 95.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.341 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.48 -46.22 67.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -56.6 -41.74 77.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.403 ' HE2' ' HB3' ' A' ' 160' ' ' MET . 0.7 OUTLIER -62.99 -43.0 100.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.728 HD23 ' NE2' ' A' ' 168' ' ' HIS . 0.2 OUTLIER -66.05 -33.41 75.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 109.38 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.18 -21.91 66.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -78.15 -5.34 51.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 3.3 t0 78.71 21.77 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -91.2 116.16 28.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.05 54.96 3.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . 0.419 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 13.5 mtt180 -146.9 87.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.728 ' NE2' HD23 ' A' ' 161' ' ' LEU . 12.7 m170 -72.44 150.36 43.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.617 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.27 142.29 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 86.6 m -87.53 50.46 2.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.832 HG23 HD11 ' A' ' 153' ' ' LEU . 8.0 t -95.3 124.33 39.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.448 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.18 153.65 38.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . 0.528 HD11 HD13 ' A' ' 153' ' ' LEU . 20.0 mt -119.56 129.3 75.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -141.08 167.12 22.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -52.18 163.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . 0.802 ' HB3' HD22 ' A' ' 141' ' ' LEU . . . -89.61 67.75 7.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . 0.465 HG22 ' CE1' ' A' ' 179' ' ' PHE . 0.5 OUTLIER -59.98 163.29 8.01 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 110.353 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 108.79 2.8 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.504 1.791 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.968 ' CZ ' HG21 ' A' ' 73' ' ' THR . 5.9 m-30 -86.48 146.94 26.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . 0.412 ' O ' ' O ' ' A' ' 181' ' ' TYR . 41.5 m-85 -88.73 114.73 25.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.453 ' CB ' HG21 ' A' ' 24' ' ' VAL . 30.8 m-85 -42.71 167.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 1.012 ' HB1' ' NE2' ' A' ' 186' ' ' HIS . . . -112.95 164.62 13.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.57 128.43 35.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 110.229 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -51.9 -21.02 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.86 -39.71 65.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . 1.012 ' NE2' ' HB1' ' A' ' 182' ' ' ALA . 11.3 p80 -113.27 -22.87 10.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.63 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 0.476 ' C ' ' CG ' ' A' ' 188' ' ' GLN . 0.0 OUTLIER -64.48 130.52 44.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 110.226 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.476 ' CG ' ' C ' ' A' ' 187' ' ' GLN . 1.1 pt20 43.71 40.16 2.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.804 ' CD2' ' CH2' ' A' ' 53' ' ' TRP . 57.2 t80 -83.35 -24.11 32.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.559 HD13 ' O ' ' A' ' 193' ' ' ASN . 0.4 OUTLIER -58.01 -37.47 74.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.472 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -56.38 -29.94 62.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.13 -41.15 64.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.601 ' OD1' ' CE2' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -137.97 121.52 11.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 111.05 179.94 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.027 -0.413 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.18 152.86 84.26 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 148.32 34.97 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.502 HG21 ' CG ' ' A' ' 181' ' ' TYR . 21.8 t -134.22 154.18 37.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.62 163.74 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.364 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.5 m -88.94 -31.18 18.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.379 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 pp -149.92 145.62 26.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.458 ' CD2' ' H ' ' A' ' 68' ' ' THR . 12.3 t-80 -40.76 149.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.583 1.177 . . . . 0.0 109.628 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.467 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -84.78 -33.55 22.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.662 HG21 ' CE2' ' A' ' 60' ' ' TRP . 48.9 t -83.68 -69.8 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -51.45 -39.81 58.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.11 33.74 39.68 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -148.61 165.44 31.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.756 . . . . 0.0 109.642 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.1 m -55.76 132.58 49.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.087 . . . . 0.0 109.943 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.729 ' SD ' ' HB2' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -98.24 -4.52 35.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.435 HG22 ' OH ' ' A' ' 181' ' ' TYR . 57.5 p -92.2 -42.97 9.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -56.26 131.19 47.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.371 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.488 HG21 HD11 ' A' ' 44' ' ' ILE . 54.9 t -118.81 99.49 51.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 137.23 21.54 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.034 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.74 123.98 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.16 0.01 44.33 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.455 ' HG3' HG13 ' A' ' 99' ' ' VAL . 40.4 tpp -107.33 143.02 36.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 1.9 pt-20 -132.26 163.2 29.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.82 ' CG1' HG22 ' A' ' 99' ' ' VAL . 3.1 mt -114.17 151.47 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -142.74 131.59 22.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.478 HG22 ' HB2' ' A' ' 139' ' ' TYR . 6.3 mt -109.58 127.85 66.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -141.74 164.72 29.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -155.39 134.11 11.97 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.453 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -150.38 -174.74 4.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 0.0 111.027 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -38.11 -84.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.625 ' HB3' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -59.78 178.69 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.601 ' CZ ' ' HB1' ' A' ' 70' ' ' ALA . 5.5 t80 -150.47 -48.81 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 111.048 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.664 ' HB3' HD23 ' A' ' 190' ' ' LEU . 1.8 m0 -71.16 -46.6 61.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 108.018 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.15 -36.62 92.1 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.756 ' HA ' HD23 ' A' ' 58' ' ' LEU . 99.3 t -60.67 -54.6 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.495 ' O ' ' CE3' ' A' ' 60' ' ' TRP . 29.5 tt0 -49.64 -36.53 24.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.082 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.541 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 5.4 ttp180 -78.54 -46.37 19.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.756 HD23 ' HA ' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -61.83 -26.77 68.32 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.434 1.084 . . . . 0.0 109.253 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.781 ' CE2' HD11 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -70.71 -66.41 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.662 ' CE2' HG21 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -56.59 -20.07 19.16 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 107.997 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.37 -25.3 62.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 110.342 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.773 HD11 HG11 ' A' ' 113' ' ' VAL . 6.1 mt -72.21 141.72 83.92 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.1 Cg_endo -75.01 112.14 3.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.448 1.762 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.75 -13.97 5.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.409 HG13 HG23 ' A' ' 98' ' ' ILE . 61.2 t -83.85 118.02 30.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.435 0.727 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 99' ' ' VAL . 4.1 t80 -75.04 -42.21 57.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.7 p -175.83 157.21 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.013 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.458 ' H ' ' CD2' ' A' ' 28' ' ' HIS . 20.3 p -138.75 169.72 17.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.729 ' HB2' ' SD ' ' A' ' 35' ' ' MET . . . -152.97 150.4 29.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.788 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -95.84 138.36 33.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.463 ' HA2' ' N ' ' A' ' 182' ' ' ALA . . . -163.87 -173.29 32.37 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.634 ' CE2' ' HA ' ' A' ' 182' ' ' ALA . 3.0 m-85 -123.43 163.47 20.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 0.0 110.996 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.449 HG22 ' CB ' ' A' ' 95' ' ' ALA . 9.7 t -167.76 163.23 14.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 110.391 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.33 -20.26 48.98 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.516 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -84.16 178.78 51.91 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -115.08 -17.89 11.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 0.735 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.488 HG21 ' OE2' ' A' ' 84' ' ' GLU . 87.7 m -74.33 118.69 71.84 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 110.461 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -75.03 144.25 29.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.446 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 26.8 m-20 39.65 62.48 5.34 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.567 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.95 175.29 11.42 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.553 ' O ' HG23 ' A' ' 85' ' ' VAL . 90.0 m -116.83 154.12 31.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -55.55 -43.46 75.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -43.5 64.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.488 ' OE2' HG21 ' A' ' 77' ' ' THR . 21.3 tt0 -60.62 -38.13 83.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 81' ' ' THR . 52.4 t -68.08 -37.93 78.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 109.254 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.1 t -53.37 -36.88 61.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.001 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.52 -39.11 72.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.017 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.05 13.9 68.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.565 1.166 . . . . 0.0 111.012 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -85.65 -11.63 53.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 0.739 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.5 p -92.6 -20.54 20.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.27 9.76 61.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 0.0 110.952 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.567 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 18.9 m-70 -68.95 147.0 52.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 0.0 109.642 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -115.95 150.58 36.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.489 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 22.2 mt-10 -70.68 109.75 5.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.449 ' CB ' HG22 ' A' ' 73' ' ' THR . . . -131.08 160.94 33.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.558 1.161 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.788 HG12 ' HA ' ' A' ' 70' ' ' ALA . 4.4 m -141.7 139.35 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.486 ' NE ' HG21 ' A' ' 44' ' ' ILE . 5.5 mtt180 -89.91 129.14 36.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 110.273 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.781 HD11 ' CE2' ' A' ' 59' ' ' PHE . 3.9 mp -119.25 122.88 70.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.39 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.82 HG22 ' CG1' ' A' ' 44' ' ' ILE . 95.5 t -110.7 102.45 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.662 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 17.7 p90 -130.26 172.23 12.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.56 135.59 19.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.167 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.4 Cg_endo -74.98 0.64 8.65 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.543 1.812 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.02 -24.9 17.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 110.017 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.7 t -100.67 -50.36 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.51 HG23 ' CD1' ' A' ' 100' ' ' TYR . 19.1 tt -117.99 156.27 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 p -115.51 147.5 40.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.067 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 9.8 p90 -56.72 -25.62 54.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.479 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.5 OUTLIER -66.31 -43.16 86.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.357 1.036 . . . . 0.0 110.258 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -64.44 -45.35 87.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.662 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 55.4 mt -59.06 -51.62 69.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 107' ' ' TYR . 3.3 mt -59.03 -41.86 88.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -61.59 -52.6 63.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.773 HG11 HD11 ' A' ' 62' ' ' LEU . 15.7 t -62.75 -41.48 92.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 114' ' ' PHE . 2.0 t80 -62.85 -41.66 99.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.557 ' HB3' ' CE2' ' A' ' 156' ' ' PHE . 38.7 m95 -71.83 -20.32 61.85 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.83 -30.95 22.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.453 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 9.7 t-20 -95.75 -1.32 50.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.436 ' CG ' ' N ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -70.44 171.68 9.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.576 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.436 ' N ' ' CG ' ' A' ' 118' ' ' HIS . 0.3 OUTLIER -108.9 140.9 22.32 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 158.8 41.88 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.504 ' HB2' ' HA ' ' A' ' 169' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.389 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.47 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 27.8 p90 -108.83 126.91 53.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -132.81 172.99 11.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 67.5 p -102.86 95.81 6.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.045 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -132.17 146.15 51.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.827 HG22 ' HD3' ' A' ' 140' ' ' PRO . 69.5 mt -110.78 133.41 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.478 ' HB2' HG22 ' A' ' 46' ' ' ILE . 87.6 m-85 -128.1 76.78 77.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.942 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.953 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.0 Cg_endo -75.01 164.6 33.01 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.9 -52.51 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.3 p -77.41 162.17 69.84 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 110.417 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -40.62 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.88 -32.64 72.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.272 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 149' ' ' ALA . 39.6 tt0 -72.11 -39.38 68.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -51.19 60.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -57.08 -38.34 73.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.421 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -76.25 -35.52 58.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 145' ' ' GLN . . . -62.7 -59.66 4.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -59.08 -28.62 66.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -67.7 -46.52 72.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 59.8 p -61.14 -43.74 98.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.952 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 5.7 tt -56.35 -51.21 69.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -53.41 -47.89 69.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.04 -49.97 75.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.318 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.557 ' CE2' ' HB3' ' A' ' 115' ' ' TRP . 0.3 OUTLIER -63.44 -40.44 97.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -62.08 -47.69 83.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.43 -46.85 65.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -56.31 -44.6 80.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.408 1.067 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.407 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 16.1 ttp -63.3 -43.99 96.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.438 HD23 ' NE2' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -64.25 -31.41 72.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -68.19 -17.62 64.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.455 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -83.31 -4.63 58.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.9 t0 78.51 28.5 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -104.11 115.1 29.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -84.52 6.49 23.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.57 1.169 . . . . 0.0 109.342 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -84.9 80.8 9.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.438 ' NE2' HD23 ' A' ' 161' ' ' LEU . 9.9 m80 -62.79 134.62 56.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.552 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.569 ' H ' HD13 ' A' ' 169' ' ' ILE . 0.2 OUTLIER -71.63 133.98 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 36.2 p -86.18 45.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.454 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 34.9 m -91.62 126.12 36.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.439 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.0 138.22 54.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.42 1.075 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 42.5 mt -108.27 123.75 64.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.211 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -137.98 156.28 48.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -42.48 157.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . 0.953 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -69.56 85.58 0.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.247 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 2.0 p -58.65 163.53 5.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 97.9 1.12 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.568 1.825 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.4 OUTLIER -77.19 133.36 38.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . 0.407 ' O ' ' O ' ' A' ' 181' ' ' TYR . 5.5 m-85 -120.39 130.74 54.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.502 ' CG ' HG21 ' A' ' 24' ' ' VAL . 25.0 m-85 -37.64 157.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.634 ' HA ' ' CE2' ' A' ' 72' ' ' TYR . . . -96.67 -62.99 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.35 159.15 28.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.98 -23.26 65.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.19 -34.35 59.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -70.3 -39.64 74.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.639 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.53 99.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.173 . . . . 0.0 110.287 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 29' ' ' ALA . 9.0 mp0 56.03 60.97 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.337 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -82.36 -29.51 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.664 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -74.18 -29.16 61.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.467 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -64.91 -41.62 95.41 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.545 1.153 . . . . 0.0 109.571 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . 0.445 ' N ' ' CD2' ' A' ' 191' ' ' HIS . 1.9 ttmt -63.41 -40.93 98.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.093 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.478 ' O ' HD13 ' A' ' 190' ' ' LEU . 0.4 OUTLIER -136.0 103.71 9.82 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.418 1.746 . . . . 0.0 111.043 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 110.962 -0.438 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 8.1 mtm -74.24 153.31 88.26 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 159.07 41.48 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.54 1.81 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.4 t -138.88 156.72 28.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.09 164.77 26.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.075 . . . . 0.0 109.254 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.422 ' C ' HD13 ' A' ' 27' ' ' LEU . 75.9 m -90.69 -45.36 8.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -103.99 156.04 18.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 33' ' ' HIS . 42.4 t-80 -71.7 166.34 22.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 109.596 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.701 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -86.21 -37.7 18.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.4 t -92.88 -65.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -54.07 -34.5 60.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.591 1.182 . . . . 0.0 109.278 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.6 24.7 71.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -124.73 169.93 11.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.561 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -39.73 135.73 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -94.65 -51.17 4.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 111.056 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.7 OUTLIER -88.71 -47.26 8.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.386 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -55.12 127.41 28.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.943 HG21 HD11 ' A' ' 44' ' ' ILE . 56.0 t -116.14 123.49 30.83 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.18 26.34 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -52.98 126.98 22.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.1 1.62 31.62 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.454 1.096 . . . . 0.0 111.045 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.475 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 3.3 mtp -115.21 164.67 13.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -139.8 159.2 42.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.226 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.943 HD11 HG21 ' A' ' 38' ' ' VAL . 2.8 mp -109.54 148.58 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.79 131.27 30.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.361 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.428 HG22 ' HB2' ' A' ' 139' ' ' TYR . 6.3 mt -106.04 130.58 57.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -144.57 156.22 44.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -136.95 133.85 36.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.47 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 0.5 OUTLIER -138.37 172.19 13.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.941 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -49.82 -64.21 3.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.41 ' HB3' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -75.25 179.56 5.04 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.5 p90 -144.09 -45.08 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 111.046 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.635 ' CH2' ' CE1' ' A' ' 189' ' ' TYR . 14.6 m0 -72.75 -36.89 67.8 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.53 -44.25 13.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.474 1.109 . . . . 0.0 111.061 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.41 HG23 ' HB3' ' A' ' 51' ' ' CYS . 97.4 t -57.3 -59.21 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 0.782 . . . . 0.0 109.352 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 14.9 pt-20 -50.0 -42.5 49.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.539 ' HA ' ' CD2' ' A' ' 60' ' ' TRP . 2.2 tmt_? -70.17 -30.31 67.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -25.83 55.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.369 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.656 ' CE2' HD11 ' A' ' 98' ' ' ILE . 1.0 OUTLIER -72.5 -59.97 2.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.539 ' CD2' ' HA ' ' A' ' 57' ' ' ARG . 0.7 OUTLIER -62.24 -15.81 49.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 0.0 107.969 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.402 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 8.8 mm-40 -83.07 -7.98 59.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.587 HD12 ' HA ' ' A' ' 59' ' ' PHE . 14.8 mt -87.57 137.38 32.21 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 108.19 2.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.444 1.76 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.416 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 133.73 -9.86 4.91 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.513 HG11 ' CG2' ' A' ' 68' ' ' THR . 20.1 t -86.83 121.9 38.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.529 0.782 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.475 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 5.2 t80 -77.95 -39.15 43.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.174 . . . . 0.0 111.065 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -169.71 154.97 5.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.968 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.513 ' CG2' HG11 ' A' ' 65' ' ' VAL . 69.3 p -132.22 171.15 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.404 1.065 . . . . 0.0 110.362 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.863 ' HB1' ' OE1' ' A' ' 187' ' ' GLN . . . -165.22 148.05 8.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -101.53 139.64 36.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -160.84 -162.38 12.52 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -150.01 155.56 40.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 0.727 . . . . 0.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 74' ' ' GLY . 1.0 OUTLIER -171.67 174.0 4.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.373 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.45 ' N ' ' OG1' ' A' ' 73' ' ' THR . . . 98.09 -13.93 62.98 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.439 1.087 . . . . 0.0 111.025 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.546 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -85.18 -173.2 49.68 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -112.82 -21.15 11.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 0.733 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.446 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 39.2 m -74.87 117.57 63.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.357 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 132.06 14.96 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.521 1.8 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.431 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 5.9 m-80 54.98 63.74 6.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.241 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.566 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -75.03 172.68 15.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.55 1.816 . . . . 0.0 111.011 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 85' ' ' VAL . 67.2 p -119.88 154.01 35.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 110.388 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -56.26 -34.31 66.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -69.05 -48.64 62.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -67.52 -41.88 83.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 81' ' ' THR . 52.8 t -56.09 -38.04 51.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.228 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.43 ' HA ' ' OE1' ' A' ' 133' ' ' GLN . 18.0 t -70.59 -32.05 69.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 m -66.42 -38.68 88.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.69 12.22 57.11 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.465 1.103 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -84.02 -21.59 31.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 0.0 109.364 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.4 p -81.56 -18.27 45.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.412 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.94 17.36 54.82 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.447 1.092 . . . . 0.0 111.037 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.566 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 38.2 m-70 -86.59 155.72 20.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 0.812 . . . . 0.0 109.625 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -113.07 156.98 22.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -82.1 109.71 16.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -121.06 167.99 12.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 69' ' ' ALA . 76.1 t -140.01 134.69 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -89.95 118.13 29.28 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.656 HD11 ' CE2' ' A' ' 59' ' ' PHE . 4.6 mp -113.9 129.61 69.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.43 1.081 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.681 HG22 ' CG1' ' A' ' 44' ' ' ILE . 91.0 t -119.38 100.29 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.219 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.494 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 23.7 p90 -126.75 177.39 6.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.468 ' CB ' ' HE2' ' A' ' 42' ' ' MET . 0.0 OUTLIER -112.78 135.75 21.6 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.4 Cg_endo -75.07 -0.49 10.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.3 m -93.15 -23.86 18.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.416 HG11 ' HA2' ' A' ' 64' ' ' GLY . 76.9 t -99.27 -48.74 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.453 HG23 ' CD1' ' A' ' 100' ' ' TYR . 16.8 tt -122.41 162.05 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.392 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.6 p -117.71 153.67 32.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.506 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 15.9 p90 -58.22 -28.52 64.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.506 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -67.85 -38.7 83.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.578 1.174 . . . . 0.0 110.271 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -65.04 -44.89 87.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.494 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 36.3 mt -58.67 -51.89 68.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.41 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 9.3 mt -60.3 -47.58 85.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -53.32 -53.51 49.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.362 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.469 HG11 HD11 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -61.93 -44.53 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -55.86 -52.56 63.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.529 ' CZ2' HD11 ' A' ' 138' ' ' ILE . 84.5 m95 -63.07 -16.33 59.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 107.985 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -86.08 -35.99 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.47 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 0.8 OUTLIER -92.94 -0.13 57.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.538 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -73.53 174.88 7.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 109.619 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.538 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 8.4 m-20 -117.4 144.48 34.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 159.85 40.86 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.514 1.797 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.546 1.154 . . . . 0.0 109.258 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' A' ' 86' ' ' SER . 14.8 pt20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 23.8 p90 -117.75 133.84 55.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 111.059 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.1 ptp85 -146.2 174.67 11.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.362 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 12.4 m -96.24 117.36 30.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.067 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -151.53 158.99 44.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.833 HG22 ' HD3' ' A' ' 140' ' ' PRO . 77.3 mt -118.59 133.17 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.428 ' HB2' HG22 ' A' ' 46' ' ' ILE . 83.3 m-85 -130.1 75.17 79.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 1.052 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 17.9 Cg_endo -75.03 167.31 27.31 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.479 1.778 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' A' ' 176' ' ' ALA . 0.3 OUTLIER -114.09 -52.77 2.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 58.8 p -71.64 159.0 86.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 110.387 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.44 2.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.421 1.748 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -38.55 91.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -64.78 -42.13 95.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -41.87 98.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.619 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -71.26 -32.3 68.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -74.86 -37.69 62.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.254 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -65.82 -58.77 4.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -60.3 -28.89 68.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.619 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -69.62 -35.64 75.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 78.1 p -74.04 -49.95 21.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.052 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.777 ' C ' HD23 ' A' ' 153' ' ' LEU . 0.4 OUTLIER -59.14 -44.47 92.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . 0.606 ' N ' HD23 ' A' ' 153' ' ' LEU . 1.2 tp10 -52.98 -38.64 62.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.386 1.054 . . . . 0.0 110.345 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -83.85 -35.15 24.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.429 ' CE1' ' HB3' ' A' ' 115' ' ' TRP . 2.2 t80 -61.35 -47.17 87.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.969 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 160' ' ' MET . 1.8 pt20 -63.16 -31.73 72.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.357 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.39 -33.08 69.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.45 -49.18 78.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.486 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 5.6 ptm -68.32 -32.77 73.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.486 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -66.04 -43.86 86.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.378 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.52 -23.3 66.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -85.61 -3.83 58.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.8 OUTLIER 77.76 31.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.366 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -91.89 110.68 22.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -87.55 12.46 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -106.27 89.68 3.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.423 ' HA ' ' CE ' ' A' ' 160' ' ' MET . 9.0 p-80 -73.74 145.75 44.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.606 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.11 141.65 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 40.3 p -89.41 41.17 1.02 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.371 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 5.9 t -93.09 133.41 36.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.402 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.64 133.2 54.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . 0.641 HD11 HD13 ' A' ' 153' ' ' LEU . 12.2 mt -105.18 121.31 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -136.21 166.17 24.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 109.348 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -49.75 159.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . 1.052 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -74.03 82.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 2.0 p -59.4 163.65 6.21 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.367 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 115.23 4.22 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.406 1.74 . . . . 0.0 111.029 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.3 OUTLIER -78.51 140.46 38.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -119.57 109.61 15.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.405 1.065 . . . . 0.0 110.967 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -41.06 155.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -109.83 173.11 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . 0.48 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 2.0 tp10 -38.66 131.56 1.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.235 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -53.53 -22.49 8.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -44.94 34.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . 0.48 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 39.2 m-70 -65.55 -45.14 84.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.634 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 0.863 ' OE1' ' HB1' ' A' ' 69' ' ' ALA . 7.5 mt-30 -53.58 131.9 39.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 187' ' ' GLN . 0.0 OUTLIER 39.23 50.22 1.88 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.482 1.113 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.635 ' CE1' ' CH2' ' A' ' 53' ' ' TRP . 3.3 t80 -83.82 -31.06 26.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 20.7 tp -75.44 -23.39 56.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.701 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -56.26 -30.6 62.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.615 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -71.09 -31.39 67.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.43 ' ND2' ' N ' ' A' ' 193' ' ' ASN . 0.2 OUTLIER -139.35 102.08 7.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.564 1.823 . . . . 0.0 111.083 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 110.925 -0.452 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.0 mtp -79.01 120.42 80.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 125.3 9.21 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.511 1.795 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.51 HG21 ' CG ' ' A' ' 181' ' ' TYR . 11.0 t -139.78 150.59 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.445 ' O ' HG12 ' A' ' 24' ' ' VAL . . . -77.61 164.91 24.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.554 HG22 HD13 ' A' ' 27' ' ' LEU . 8.9 m -88.33 -45.02 10.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.554 HD13 HG22 ' A' ' 26' ' ' THR . 0.3 OUTLIER -104.76 157.56 17.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -70.86 158.44 36.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.615 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.678 ' HB2' ' OE1' ' A' ' 188' ' ' GLN . . . -85.73 -33.12 21.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.43 HG21 ' CE2' ' A' ' 60' ' ' TRP . 61.0 t -92.33 -66.62 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 66' ' ' TYR . 53.5 t30 -54.16 -36.64 63.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.07 29.29 70.71 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.48 1.113 . . . . 0.0 111.036 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.73 170.08 16.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 0.786 . . . . 0.0 109.645 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 m -39.79 138.48 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.17 -62.1 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.2 p -70.93 -45.14 64.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.379 1.05 . . . . 0.0 110.4 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -55.3 132.46 47.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.376 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.908 HG21 HD11 ' A' ' 44' ' ' ILE . 2.7 t -127.81 112.91 20.55 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 148.23 35.27 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.02 133.69 51.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.368 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.4 -12.86 33.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.7 mmt -103.39 161.88 13.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 0.803 . . . . 0.0 111.047 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -137.62 160.65 38.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.908 HD11 HG21 ' A' ' 38' ' ' VAL . 3.4 mt -115.52 150.89 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.593 ' HB1' ' CE2' ' A' ' 47' ' ' PHE . . . -140.39 130.81 25.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.5 mt -110.54 128.92 66.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.218 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.645 ' HE1' HG23 ' A' ' 138' ' ' ILE . 51.5 m-85 -148.06 152.35 37.23 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.566 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -123.9 115.26 21.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.96 -177.39 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -54.7 -95.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.487 ' O ' HG21 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -62.86 -179.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 6.0 p90 -137.3 -45.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -61.94 -45.51 93.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 108.003 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.49 -41.08 21.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.516 HG12 ' CD2' ' A' ' 59' ' ' PHE . 90.3 t -59.39 -55.38 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.496 ' O ' ' CE3' ' A' ' 60' ' ' TRP . 1.4 tt0 -54.69 -38.66 67.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.551 ' HA ' ' CZ3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -72.16 -34.76 68.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.33 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -35.06 62.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.523 ' CD1' HG12 ' A' ' 98' ' ' ILE . 0.9 OUTLIER -62.74 -65.54 0.67 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.551 ' CZ3' ' HA ' ' A' ' 57' ' ' ARG . 0.6 OUTLIER -56.3 -21.75 26.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.478 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 4.3 mm-40 -76.29 -20.45 57.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.243 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.511 HD23 ' HD2' ' A' ' 63' ' ' PRO . 1.6 tt -67.94 139.35 93.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.511 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.4 Cg_endo -74.97 114.58 4.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 0.0 111.058 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.469 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 124.75 -13.86 7.65 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.1 t -88.68 124.09 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.416 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.8 OUTLIER -77.97 -47.58 18.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 p -162.72 163.03 27.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.934 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.7 p -142.98 169.79 16.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.449 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.61 139.39 16.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.78 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -98.16 129.91 44.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.48 ' HA2' ' N ' ' A' ' 182' ' ' ALA . . . -150.59 -166.88 13.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 111.056 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.604 ' CE2' ' HA ' ' A' ' 182' ' ' ALA . 4.8 m-85 -122.31 152.12 40.42 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.528 0.781 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.477 HG23 ' C ' ' A' ' 72' ' ' TYR . 77.7 p -154.46 171.28 19.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.411 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.52 -20.5 30.61 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.589 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -83.28 -172.46 48.74 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 14.1 m-85 -113.66 -25.68 8.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.7 m -75.7 119.28 76.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.343 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.417 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -74.96 138.79 23.59 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 111.072 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.49 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 7.0 p-10 41.66 60.47 8.7 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.568 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -75.01 178.1 7.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.505 1.792 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.557 ' O ' HG23 ' A' ' 85' ' ' VAL . 68.7 m -107.67 153.89 22.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -60.6 -38.3 84.19 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.66 -46.99 88.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.9 -41.63 82.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.349 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 81' ' ' THR . 27.0 t -52.91 -47.45 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.235 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -28.31 69.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.022 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.35 -33.98 76.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.55 13.16 73.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.536 1.148 . . . . 0.0 110.99 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.84 4.6 49.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 0.777 . . . . 0.0 109.271 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.7 p -110.97 -18.89 12.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.347 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.94 17.71 61.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 111.075 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.589 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 17.6 m-70 -82.25 163.33 21.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 0.0 109.621 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -130.25 175.2 9.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.566 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 66.1 mm-40 -77.75 125.17 28.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.621 1.2 . . . . 0.0 110.338 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -151.53 153.66 35.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.78 HG12 ' HA ' ' A' ' 70' ' ' ALA . 3.1 m -139.57 153.27 23.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.513 ' C ' HD12 ' A' ' 98' ' ' ILE . 4.6 ttm180 -105.54 136.81 44.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.523 HG12 ' CD1' ' A' ' 59' ' ' PHE . 4.7 mp -128.67 128.07 67.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.623 HG13 HG13 ' A' ' 44' ' ' ILE . 3.2 t -116.11 105.16 17.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.438 ' CD2' HG23 ' A' ' 105' ' ' ILE . 17.6 p90 -128.98 173.29 10.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.45 130.54 25.51 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.435 1.084 . . . . 0.0 109.243 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.11 10.79 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.536 1.808 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.46 -13.68 15.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.004 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.469 HG11 ' HA2' ' A' ' 64' ' ' GLY . 47.4 t -96.54 -47.14 12.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.438 HG23 ' CD2' ' A' ' 100' ' ' TYR . 17.7 tt -129.28 166.19 27.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.389 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.8 p -111.31 153.07 26.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 110.007 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 26.0 p90 -58.09 -38.18 75.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 111.066 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.637 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 1.1 tt0 -57.59 -38.86 75.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -65.95 -44.2 85.74 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.9 mt -60.87 -44.75 96.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.625 HD21 HD13 ' A' ' 138' ' ' ILE . 0.4 OUTLIER -65.82 -41.22 92.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -53.33 -54.49 35.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.498 HG21 HD11 ' A' ' 62' ' ' LEU . 84.7 t -59.99 -44.57 94.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 118' ' ' HIS . 24.0 t80 -55.02 -51.2 67.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 111.025 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -67.71 -19.45 65.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -80.6 -38.1 29.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -94.65 -5.21 46.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.54 ' CE1' ' OD1' ' A' ' 119' ' ' ASP . 44.4 t60 -71.25 165.17 24.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.576 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.54 ' OD1' ' CE1' ' A' ' 118' ' ' HIS . 12.4 p-10 -102.03 147.04 33.35 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 158.71 41.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.544 1.812 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 167' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.534 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 28.4 p90 -112.21 125.85 54.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.24 163.27 30.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 171' ' ' THR . 33.3 p -98.26 97.18 8.61 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -130.04 155.15 46.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.376 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.818 HG22 ' HD3' ' A' ' 140' ' ' PRO . 47.1 mt -120.75 133.45 67.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.378 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -130.28 78.18 74.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.17 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.818 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.4 Cg_endo -74.96 169.62 22.22 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.438 1.757 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.427 HD22 ' C ' ' A' ' 140' ' ' PRO . 2.8 mm? -110.21 -49.72 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.417 ' OG1' ' CG ' ' A' ' 145' ' ' GLN . 77.9 p -77.07 161.75 72.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -33.88 4.32 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.481 1.78 . . . . 0.0 111.047 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.19 -46.49 83.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.417 ' CG ' ' OG1' ' A' ' 142' ' ' THR . 88.3 mt-30 -57.8 -46.51 84.53 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.131 . . . . 0.0 110.246 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.26 -46.08 76.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 151' ' ' ALA . . . -63.69 -45.56 89.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.482 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -63.54 -36.68 84.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -63.49 -59.07 5.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -64.2 -35.75 81.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 147' ' ' ALA . . . -60.39 -35.35 75.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 53.5 p -77.8 -33.32 52.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.046 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.649 ' O ' HD23 ' A' ' 153' ' ' LEU . 3.0 tt -68.3 -51.2 47.38 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -24.25 65.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.16 -56.78 4.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -60.65 -39.19 87.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.471 ' O ' ' CG ' ' A' ' 160' ' ' MET . 5.5 tt0 -62.05 -45.18 94.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.85 -32.22 67.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.24 -49.37 77.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.496 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 5.5 ptm -67.92 -32.64 73.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.394 1.059 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.496 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -61.87 -39.55 92.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.7 -19.63 65.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -89.01 -2.96 58.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 74.28 32.02 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.4 121.85 41.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.87 17.44 7.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . 0.408 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 65.6 mtt180 -95.3 69.12 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.406 ' CA ' ' HE1' ' A' ' 160' ' ' MET . 0.0 OUTLIER -69.1 140.78 54.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.645 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.7 mp -73.85 126.98 35.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 4.2 p -86.89 49.2 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.38 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 136' ' ' SER . 1.3 m -90.01 136.01 33.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.414 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -121.3 132.04 54.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.088 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 14.4 mt -109.19 126.13 66.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -141.61 164.21 30.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.246 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -46.06 167.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -87.96 89.2 7.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . 0.448 ' HB ' ' HD2' ' A' ' 178' ' ' PRO . 6.7 p -65.98 170.01 5.89 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . 0.448 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -75.15 110.99 3.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 0.0 110.976 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -76.26 135.62 39.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 111.054 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . 0.417 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 15.8 m-85 -121.21 118.58 29.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.51 ' CG ' HG21 ' A' ' 24' ' ' VAL . 61.0 m-85 -37.67 159.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.093 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.604 ' HA ' ' CE2' ' A' ' 72' ' ' TYR . . . -93.74 -66.38 0.92 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . 0.567 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 2.7 tp10 -163.58 147.47 10.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.339 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.41 -21.83 66.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.24 -40.3 30.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 4.5 m-70 -81.03 -32.41 34.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.55 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 0.471 ' C ' ' CG ' ' A' ' 188' ' ' GLN . 2.2 tp60 -55.07 116.35 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.344 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.678 ' OE1' ' HB2' ' A' ' 29' ' ' ALA . 0.7 OUTLIER 43.64 55.55 4.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.36 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.46 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 63.4 t80 -85.81 -49.57 7.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.061 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 9.1 tp -55.63 -22.39 22.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.217 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.527 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -55.5 -35.79 65.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 0.0 109.639 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . 0.427 ' HG2' ' ND2' ' A' ' 193' ' ' ASN . 32.9 pttt -90.06 -22.82 21.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.082 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.3 OUTLIER -122.8 90.88 49.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.231 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.539 1.81 . . . . 0.0 111.016 179.923 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.492 ' HA ' ' ND2' ' A' ' 79' ' ' ASN . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.945 0 N-CA-C 110.981 -0.43 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.16 150.57 96.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.597 1.186 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 143.63 29.16 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.464 1.77 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.724 HG11 ' CE1' ' A' ' 181' ' ' TYR . 55.2 t -139.15 128.23 29.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.279 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -42.18 156.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 m -80.24 -45.13 18.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.493 HD12 ' N ' ' A' ' 34' ' ' SER . 0.5 OUTLIER -98.9 155.73 17.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.584 ' CE1' ' OE1' ' A' ' 188' ' ' GLN . 25.9 t-80 -71.07 163.88 26.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.645 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.783 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -87.13 -30.32 21.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.575 HG21 ' CE2' ' A' ' 60' ' ' TRP . 69.3 t -95.41 -67.79 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 32.2 m-80 -55.1 -36.01 65.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 69.26 25.04 75.79 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.559 1.162 . . . . 0.0 110.996 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.596 ' CG ' ' N ' ' A' ' 34' ' ' SER . 13.5 t60 -126.89 170.13 12.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.561 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.596 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 3.1 m -42.81 132.77 3.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.052 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.37 -64.39 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 37' ' ' ASN . 4.3 t -61.64 -51.89 66.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.454 ' N ' HG23 ' A' ' 36' ' ' THR . 1.4 m-20 -54.87 126.05 22.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.677 HG13 ' HB3' ' A' ' 42' ' ' MET . 2.6 t -111.56 134.45 21.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.242 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.575 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -75.02 147.93 34.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.812 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.47 112.57 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.31 10.48 23.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.677 ' HB3' HG13 ' A' ' 38' ' ' VAL . 3.7 tpt -100.52 161.02 13.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 0.756 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -141.52 145.48 35.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.674 HD11 HG21 ' A' ' 38' ' ' VAL . 3.5 mp -106.57 145.36 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -123.19 129.54 51.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 3.6 mt -118.53 131.89 70.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 1.011 ' CZ ' HD13 ' A' ' 98' ' ' ILE . 0.5 OUTLIER -156.97 165.82 35.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.935 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -136.43 114.54 11.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.474 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 1.6 ptm -148.48 131.96 16.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 110.984 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 49' ' ' MET . . . 34.6 -146.95 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.419 1.075 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.0 p -61.1 173.93 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.486 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 7.5 p90 -127.98 -1.55 5.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.465 ' C ' HD12 ' A' ' 190' ' ' LEU . 10.6 m0 -87.93 -50.66 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 107.957 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.44 -34.31 40.71 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.544 1.153 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.582 HG22 ' OD1' ' A' ' 117' ' ' ASN . 62.1 t -71.04 -54.02 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.739 . . . . 0.0 109.364 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.486 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 15.0 tt0 -48.03 -51.37 24.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.813 ' HD3' HD13 ' A' ' 190' ' ' LEU . 2.1 ptt180 -64.23 -24.97 67.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.535 HD13 HD22 ' A' ' 117' ' ' ASN . 0.0 OUTLIER -78.29 -24.79 46.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.836 ' CZ ' ' CE2' ' A' ' 47' ' ' PHE . 5.6 m-85 -84.4 -57.82 3.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.044 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.728 ' HA ' HG11 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -55.66 -26.82 46.57 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.493 1.12 . . . . 0.0 107.986 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 73.2 mt-30 -76.09 -9.91 59.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.342 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.561 HD11 HG21 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -79.18 144.63 63.1 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 124.01 8.28 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.439 ' O ' ' HA ' ' A' ' 100' ' ' TYR . . . 117.5 -16.66 12.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 0.0 111.06 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.728 HG11 ' HA ' ' A' ' 60' ' ' TRP . 47.7 t -76.63 110.0 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CE2' ' HG3' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -75.37 -47.94 25.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.961 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.0 m -144.44 152.01 40.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.843 HG23 HG13 ' A' ' 98' ' ' ILE . 2.4 m -137.13 140.28 41.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.335 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.424 ' HA ' ' NE2' ' A' ' 187' ' ' GLN . . . -139.69 166.03 25.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.903 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -132.31 140.53 48.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 0.0 109.268 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.814 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -164.08 -155.68 8.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -132.24 168.91 17.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -175.77 161.93 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.36 -18.14 55.82 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.558 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -85.8 -176.18 50.15 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -114.97 -19.78 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 111.051 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 1.2 m -74.87 121.6 85.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.173 . . . . 0.0 110.413 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 141.06 26.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.455 1.766 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.492 ' ND2' ' HA ' ' A' ' 21' ' ' PRO . 17.0 t-20 42.44 63.7 6.78 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.571 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -74.97 161.96 37.98 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.1 p -110.14 153.39 24.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -54.69 -35.55 63.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -63.41 -47.49 81.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.173 . . . . 0.0 110.326 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.46 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 49.8 mt-10 -72.31 -45.1 61.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.6 t -51.53 -38.82 21.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.4 t -72.24 -33.62 67.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.088 . . . . 0.0 110.019 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.6 m -63.74 -39.55 94.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.944 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.01 8.35 59.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.449 1.093 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -80.78 -17.36 51.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.46 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 8.5 p -88.77 -19.42 26.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.387 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.13 15.34 58.44 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.571 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 30.5 m-70 -83.71 151.3 25.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.77 . . . . 0.0 109.588 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -121.46 168.5 11.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.463 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 0.2 OUTLIER -70.24 129.32 39.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -156.31 151.37 26.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.903 HG12 ' HA ' ' A' ' 70' ' ' ALA . 4.8 m -140.68 164.92 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.773 ' C ' HD12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -126.13 122.24 35.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.011 HD13 ' CZ ' ' A' ' 47' ' ' PHE . 1.6 mp -111.69 132.28 60.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.516 HG22 ' CG1' ' A' ' 44' ' ' ILE . 11.6 t -109.55 108.84 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.439 ' HA ' ' O ' ' A' ' 64' ' ' GLY . 8.5 p90 -128.48 172.27 11.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.421 ' N ' ' HE3' ' A' ' 42' ' ' MET . 0.4 OUTLIER -112.26 133.05 21.83 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.424 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.4 Cg_endo -74.95 -1.09 10.76 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.498 1.789 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.09 -25.33 19.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 110.038 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 77.4 t -109.05 -49.15 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.65 HD11 ' CG ' ' A' ' 109' ' ' GLN . 0.2 OUTLIER -121.93 131.28 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.561 ' N ' HD13 ' A' ' 105' ' ' ILE . 3.5 p -98.44 150.82 21.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.669 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 2.3 p90 -63.76 -36.63 84.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.669 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 15.6 tt0 -53.11 -48.61 67.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.65 ' CG ' HD11 ' A' ' 105' ' ' ILE . 2.0 pt20 -63.36 -36.91 85.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.474 HD21 HD22 ' A' ' 62' ' ' LEU . 17.2 mt -58.72 -49.51 77.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.432 ' HB3' ' CZ2' ' A' ' 115' ' ' TRP . 26.8 mt -50.88 -39.31 53.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.45 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -63.11 -34.73 78.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.561 HG21 HD11 ' A' ' 62' ' ' LEU . 14.0 t -74.86 -37.58 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 118' ' ' HIS . 7.9 m-85 -54.46 -53.16 57.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.574 ' CZ2' ' HB2' ' A' ' 152' ' ' SER . 0.7 OUTLIER -61.31 -23.11 65.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 107.981 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.58 -38.24 70.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.582 ' OD1' HG22 ' A' ' 55' ' ' VAL . 14.8 t-20 -95.04 -14.48 24.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.556 ' HD1' ' N ' ' A' ' 119' ' ' ASP . 16.1 t-80 -69.76 148.67 48.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.643 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.556 ' N ' ' HD1' ' A' ' 118' ' ' HIS . 6.9 m-20 -112.23 155.56 43.35 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.162 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 160.54 39.97 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 167' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -126.91 125.3 41.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -147.32 92.99 2.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 73.7 m -60.82 91.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -133.99 163.92 28.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.883 HG22 ' HD3' ' A' ' 140' ' ' PRO . 30.0 mt -122.85 130.45 74.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.406 ' HB3' ' HA ' ' A' ' 176' ' ' ALA . 27.9 m-85 -122.87 75.45 48.16 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 111.047 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.883 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.2 Cg_endo -74.98 169.65 22.16 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.875 HD22 ' CB ' ' A' ' 176' ' ' ALA . 0.2 OUTLIER -109.16 -55.44 2.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.6 p -67.97 157.29 87.33 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -42.61 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.544 1.813 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.36 -38.67 80.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.366 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -68.57 -35.51 77.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.178 . . . . 0.0 110.339 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -49.24 61.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.377 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -65.9 -35.44 80.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.9 -45.98 59.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.41 -56.57 18.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 151' ' ' ALA . 8.6 ptp180 -60.52 -34.33 73.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.351 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -60.27 -45.44 93.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.394 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 23.1 p -59.07 -43.55 91.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.942 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.455 ' C ' HD23 ' A' ' 153' ' ' LEU . 6.1 tt -53.5 -50.37 65.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -52.53 -46.78 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -40.4 74.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -59.84 -48.1 83.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 158' ' ' ALA . 1.2 pt20 -70.03 -26.07 63.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 157' ' ' GLN . . . -68.73 -46.95 67.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 162' ' ' ALA . . . -64.3 -42.8 96.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.417 ' C ' ' SD ' ' A' ' 160' ' ' MET . 14.5 tmm? -60.64 -48.15 83.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.587 HD22 ' O ' ' A' ' 165' ' ' ASP . 0.1 OUTLIER -64.38 -30.07 71.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 159' ' ' ALA . . . -61.85 -20.06 63.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -89.26 14.46 10.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 2.5 t70 58.7 31.05 20.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . 0.587 ' O ' HD22 ' A' ' 161' ' ' LEU . 1.2 m-20 -104.49 136.01 44.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.383 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -98.13 8.45 44.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.205 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . 0.43 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 1.3 mtm-85 -80.19 72.65 7.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.43 1.081 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -66.45 142.5 57.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.658 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.4 mp -78.77 131.01 35.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 27.1 p -85.71 48.21 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.424 HG22 HD12 ' A' ' 153' ' ' LEU . 3.2 m -90.73 124.25 34.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.384 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.84 140.52 52.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.604 1.19 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.1 mp -117.88 127.59 75.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -140.34 171.74 13.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.077 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -42.76 164.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . 0.875 ' CB ' HD22 ' A' ' 141' ' ' LEU . . . -86.93 87.85 7.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . 0.421 ' H ' HG23 ' A' ' 177' ' ' THR . 30.1 p -59.66 164.23 5.89 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.3 Cg_endo -74.9 117.53 4.96 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.768 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.574 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -76.59 141.77 40.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 181' ' ' TYR . 40.3 m-85 -119.37 105.38 11.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.724 ' CE1' HG11 ' A' ' 24' ' ' VAL . 18.4 m-85 -35.72 150.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.814 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -107.91 173.52 6.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -44.1 141.54 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -54.97 -36.34 65.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.71 -42.98 89.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -68.26 -46.26 70.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.567 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 0.458 ' HA ' ' NE2' ' A' ' 187' ' ' GLN . 14.6 tp60 -49.46 112.65 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.276 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.783 ' OE1' ' HB3' ' A' ' 29' ' ' ALA . 10.0 mt-30 49.42 58.73 5.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.433 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 12.0 t80 -82.06 -37.99 25.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.813 HD13 ' HD3' ' A' ' 57' ' ' ARG . 0.5 OUTLIER -72.45 -27.94 62.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.545 ' CD2' ' N ' ' A' ' 192' ' ' LYS . 0.0 OUTLIER -57.07 -38.85 73.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.616 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . 0.545 ' N ' ' CD2' ' A' ' 191' ' ' HIS . 9.8 mmmt -65.02 -42.75 94.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.807 ' O ' HD23 ' A' ' 190' ' ' LEU . 0.0 OUTLIER -120.38 103.9 43.76 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 110.961 -0.438 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.498 ' CE ' HG23 ' A' ' 81' ' ' THR . 0.7 OUTLIER -71.59 150.98 93.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.94 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 128.59 11.6 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.44 HG21 ' CD2' ' A' ' 181' ' ' TYR . 3.0 t -123.06 136.24 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.15 153.21 42.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.651 HG22 HD13 ' A' ' 27' ' ' LEU . 18.2 m -78.5 -44.1 25.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.651 HD13 HG22 ' A' ' 26' ' ' THR . 0.0 OUTLIER -103.45 132.28 49.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.575 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 25.4 t-80 -44.44 160.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.601 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.506 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -84.51 -29.69 25.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 1.048 HG11 ' CE2' ' A' ' 60' ' ' TRP . 55.3 t -95.39 -66.34 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -54.83 -39.96 69.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.36 19.61 79.37 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.472 ' CG ' ' N ' ' A' ' 34' ' ' SER . 21.7 t60 -122.99 162.67 21.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 0.722 . . . . 0.0 109.627 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.472 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 1.0 OUTLIER -42.34 142.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.8 mtp -98.33 -60.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.1 t -60.65 -47.68 85.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.415 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.436 ' HB2' ' CB ' ' A' ' 34' ' ' SER . 3.5 m-80 -54.32 125.63 20.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 0.0 109.217 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.697 HG21 HD11 ' A' ' 44' ' ' ILE . 17.3 t -116.17 117.23 39.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 146.19 32.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.778 . . . . 0.0 111.044 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.99 131.66 47.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 109.274 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.33 2.15 59.08 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.521 ' HG2' HG12 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -108.17 151.51 25.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.584 0.814 . . . . 0.0 111.042 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -131.08 165.19 23.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.183 . . . . 0.0 110.238 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.697 HD11 HG21 ' A' ' 38' ' ' VAL . 3.0 mt -115.92 152.61 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -149.88 136.96 19.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.175 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.527 HG22 ' HD2' ' A' ' 139' ' ' TYR . 71.0 mt -114.83 138.4 45.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -148.88 147.53 28.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 111.077 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -129.47 115.02 16.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 0.0 109.34 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.775 ' HB2' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -120.74 -176.73 3.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 111.033 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.79 -78.96 0.07 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.9 t -77.84 179.89 6.41 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.526 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -127.82 -43.49 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.675 ' HB3' HD23 ' A' ' 190' ' ' LEU . 14.0 m0 -71.45 -34.25 70.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.185 . . . . 0.0 108.109 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.11 -48.98 7.2 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.775 HG11 ' HB2' ' A' ' 49' ' ' MET . 70.9 t -63.13 -51.18 74.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HB2' HG11 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -55.22 -50.43 69.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.342 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -69.07 -26.77 65.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.416 1.073 . . . . 0.0 110.321 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.447 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -68.33 -33.76 74.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.584 1.177 . . . . 0.0 109.335 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.72 ' CE2' HG12 ' A' ' 55' ' ' VAL . 16.8 m-85 -68.42 -47.82 66.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 1.048 ' CE2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -67.37 -55.85 12.09 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.525 ' N ' ' CG ' ' A' ' 60' ' ' TRP . 2.7 mt-30 -48.81 -22.25 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.248 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.835 HD13 ' HD2' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -72.87 142.64 83.39 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.835 ' HD2' HD13 ' A' ' 62' ' ' LEU . 18.4 Cg_endo -75.01 116.94 4.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.451 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 122.81 -17.52 8.18 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.529 1.143 . . . . 0.0 111.06 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.689 HG21 ' O ' ' A' ' 59' ' ' PHE . 63.3 t -88.39 125.38 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 0.798 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.44 ' HB2' ' HE2' ' A' ' 42' ' ' MET . 0.2 OUTLIER -79.1 -56.86 4.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.932 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.4 p -152.31 166.32 32.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.101 . . . . 0.0 109.945 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 71.5 p -144.04 149.68 37.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 0.0 110.37 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -128.02 138.66 52.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.887 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -97.79 139.1 34.16 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.412 ' CA ' ' O ' ' A' ' 180' ' ' TYR . . . -166.21 -162.97 18.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -142.78 163.37 32.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 0.0 111.053 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.475 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 10.0 t -168.71 160.46 10.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 110.397 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.33 -20.25 49.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.528 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -70.7 -178.75 26.75 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -115.09 -18.6 11.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.7 m -74.83 128.57 85.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 110.37 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -75.01 119.89 5.84 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.443 1.759 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 78' ' ' PRO . 8.6 t-20 40.0 65.6 3.7 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.561 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.02 176.09 10.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.544 1.813 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.498 HG23 ' CE ' ' A' ' 22' ' ' MET . 23.5 m -102.2 159.94 14.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 110.34 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -52.82 -48.62 66.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -36.91 75.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -70.6 -41.45 72.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.56 -46.06 76.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -29.36 68.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.423 1.077 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.1 t -71.36 -39.89 70.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.8 12.43 57.97 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.505 1.128 . . . . 0.0 111.044 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -84.29 5.75 25.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.3 p -113.38 -25.51 8.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.356 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.21 29.55 66.32 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.481 1.113 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.561 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 18.6 m-70 -82.99 155.52 23.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.623 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 73' ' ' THR . . . -112.55 142.31 45.28 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.72 110.81 7.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.03 153.75 51.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.887 HG12 ' HA ' ' A' ' 70' ' ' ALA . 34.8 m -140.03 149.85 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 179' ' ' PHE . 2.1 ttm180 -93.38 145.07 24.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.529 HG12 ' CG ' ' A' ' 59' ' ' PHE . 3.5 mp -135.62 117.81 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.587 HG22 ' CG1' ' A' ' 44' ' ' ILE . 58.4 t -110.03 106.34 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 9.0 p90 -127.08 177.46 6.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.548 1.155 . . . . 0.0 110.964 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.57 133.05 20.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.4 Cg_endo -75.01 0.55 8.78 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.6 -26.73 15.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 64.3 t -101.49 -50.23 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.796 HD11 ' CD2' ' A' ' 110' ' ' LEU . 3.7 tt -119.3 143.59 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 p -115.52 155.52 27.37 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 16.0 p90 -63.36 -24.65 67.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.403 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.2 tt0 -65.06 -45.26 86.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.413 ' OE1' ' HA ' ' A' ' 105' ' ' ILE . 6.0 pt20 -72.65 -39.42 67.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.796 ' CD2' HD11 ' A' ' 105' ' ' ILE . 16.0 mt -58.98 -52.0 67.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.358 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.636 HD23 ' N ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -59.98 -29.18 68.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.636 ' N ' HD23 ' A' ' 111' ' ' LEU . 9.4 mt-30 -72.1 -44.79 62.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -71.92 -34.21 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -61.98 -42.82 99.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.817 ' HZ3' HG21 ' A' ' 171' ' ' THR . 35.3 m95 -75.02 -14.24 60.58 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -86.06 -17.61 34.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.461 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 0.6 OUTLIER -116.76 5.16 13.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.51 175.1 10.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.607 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 36.7 p30 -119.21 157.17 51.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 160.5 39.75 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.496 1.787 . . . . 0.0 111.013 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.417 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 29.0 p90 -126.4 125.22 41.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -130.35 163.68 26.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.0 t -83.88 109.45 17.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.934 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -144.83 148.71 34.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.992 HG22 ' HD3' ' A' ' 140' ' ' PRO . 66.9 mt -111.08 130.49 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.527 ' HD2' HG22 ' A' ' 46' ' ' ILE . 28.0 m-85 -126.18 71.05 69.74 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.992 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.4 Cg_endo -74.89 167.4 27.15 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.551 1.816 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.09 -60.99 1.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 0.0 109.293 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.761 HG23 ' HB2' ' A' ' 145' ' ' GLN . 0.1 OUTLIER -56.22 155.38 13.01 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -35.87 2.87 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -65.09 -35.45 81.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.09 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.761 ' HB2' HG23 ' A' ' 142' ' ' THR . 58.3 tt0 -67.8 -49.26 63.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 0.0 110.27 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.42 -35.71 63.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -73.44 -43.26 60.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.65 -46.48 85.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.466 ' HA ' HD12 ' A' ' 111' ' ' LEU . . . -55.79 -53.31 58.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.54 ' HG2' HD13 ' A' ' 173' ' ' ILE . 7.4 mtm180 -68.25 -29.28 68.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -61.36 -48.32 81.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 156' ' ' PHE . 1.8 p -56.72 -44.62 81.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.96 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.777 HD23 ' N ' ' A' ' 153' ' ' LEU . 0.4 OUTLIER -65.88 -37.39 85.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 0.0 109.3 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -49.37 -46.74 47.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 159' ' ' ALA . 0.0 OUTLIER -91.43 -52.58 4.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' A' ' 152' ' ' SER . 10.1 t80 -50.21 -51.35 44.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.524 ' CB ' ' O ' ' A' ' 153' ' ' LEU . 39.4 tt0 -56.51 -44.08 80.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.83 -28.5 63.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 155' ' ' ARG . . . -65.67 -48.75 71.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.528 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 2.9 ptm -65.73 -32.03 73.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.528 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -68.2 -42.02 80.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.26 -19.39 65.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -82.03 1.87 33.7 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 3.6 t70 72.21 22.46 3.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.19 111.97 24.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.43 -1.87 39.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.62 79.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -49.95 153.27 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.66 140.19 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 7.1 p -98.23 1.94 47.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.393 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.817 HG21 ' HZ3' ' A' ' 115' ' ' TRP . 78.6 p -92.26 126.61 37.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.452 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.02 124.52 45.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . 0.54 HD13 ' HG2' ' A' ' 150' ' ' ARG . 2.9 mt -95.35 120.82 45.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -144.82 164.87 29.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -41.84 161.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . 0.493 ' HB1' HD12 ' A' ' 46' ' ' ILE . . . -89.86 86.76 6.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 18.4 p -59.83 160.88 13.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 0.0 110.342 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 98.71 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.503 1.791 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.592 ' CZ ' ' CE1' ' A' ' 181' ' ' TYR . 0.7 OUTLIER -79.0 139.68 38.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . 0.412 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 6.6 m-85 -95.5 123.69 39.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 111.072 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.592 ' CE1' ' CZ ' ' A' ' 179' ' ' PHE . 3.7 m-85 -51.42 157.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -110.48 167.72 10.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . 0.563 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 11.7 tp10 -40.02 146.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -64.75 -24.46 67.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.31 -39.0 68.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 43.6 m-70 -71.88 -44.21 64.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.571 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 0.431 ' HG2' ' HB3' ' A' ' 70' ' ' ALA . 10.9 mt-30 -57.29 125.61 23.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.575 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 4.1 mp0 54.7 47.23 22.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.502 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 12.2 t80 -85.15 -24.84 27.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 111.058 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.675 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -75.08 -46.27 35.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.356 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.784 ' CG ' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -58.75 -28.98 66.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.557 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -70.41 -31.71 69.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.244 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.7 OUTLIER -136.49 103.67 9.4 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.493 ' N ' HD22 ' A' ' 79' ' ' ASN . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.934 0 N-CA-C 110.99 -0.427 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.2 ptp -81.77 138.46 46.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.37 35.14 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.566 1.824 . . . . 0.0 111.018 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.512 HG21 ' CB ' ' A' ' 181' ' ' TYR . 25.6 t -130.49 146.02 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.76 150.0 4.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.658 HG22 HD13 ' A' ' 27' ' ' LEU . 3.5 m -81.21 -41.6 22.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.419 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.658 HD13 HG22 ' A' ' 26' ' ' THR . 0.2 OUTLIER -108.21 133.6 52.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.431 1.082 . . . . 0.0 109.367 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.544 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 20.6 t-80 -45.54 157.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.601 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.881 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -84.8 -26.53 27.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.89 HG11 ' CD2' ' A' ' 60' ' ' TRP . 51.8 t -95.67 -67.77 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -55.18 -39.42 69.54 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.511 1.132 . . . . 0.0 109.399 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.56 19.35 76.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.562 ' CG ' ' N ' ' A' ' 34' ' ' SER . 18.6 t60 -126.25 169.86 12.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.658 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.562 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 16.7 m -38.86 138.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.051 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.12 -50.57 4.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 111.021 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.44 HG23 ' N ' ' A' ' 37' ' ' ASN . 6.9 t -67.45 -50.05 60.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 110.431 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.44 ' N ' HG23 ' A' ' 36' ' ' THR . 6.4 t30 -54.84 143.43 25.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.647 HG13 ' HD2' ' A' ' 39' ' ' PRO . 54.4 t -126.32 140.99 38.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.647 ' HD2' HG13 ' A' ' 38' ' ' VAL . 18.7 Cg_endo -74.91 144.86 31.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.491 1.784 . . . . 0.0 111.075 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.23 120.33 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.09 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.55 8.58 52.1 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.445 1.091 . . . . 0.0 111.054 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.479 ' SD ' ' CA ' ' A' ' 101' ' ' ASP . 1.8 tpp -105.13 159.52 15.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.23 166.22 23.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.791 ' CG1' HG22 ' A' ' 99' ' ' VAL . 3.3 mt -111.82 154.73 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -145.78 129.9 17.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.507 HD12 ' HB1' ' A' ' 176' ' ' ALA . 55.7 mt -107.78 131.91 56.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -141.74 147.99 38.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.406 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -124.87 118.47 26.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.391 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.818 ' HB3' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -129.66 179.14 6.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.408 1.068 . . . . 0.0 111.044 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -56.53 -98.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.105 . . . . 0.0 111.008 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.2 p -73.7 89.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.447 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 37.8 p90 -58.37 -18.86 30.93 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.938 ' HB3' HD23 ' A' ' 190' ' ' LEU . 0.9 OUTLIER -67.78 -48.42 66.38 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -74.72 -40.72 36.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.818 HG21 ' HB3' ' A' ' 49' ' ' MET . 86.7 t -61.98 -57.1 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 0.743 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -40.84 50.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.373 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.477 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 32.9 ttt180 -74.13 -29.63 61.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.344 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.56 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -75.12 -38.39 61.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.586 ' CE2' HG12 ' A' ' 55' ' ' VAL . 2.0 m-85 -58.17 -52.2 66.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 111.021 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.89 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -69.07 -52.0 32.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 108.014 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.587 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 10.6 mm-40 -49.24 -22.12 0.97 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.925 HD13 ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -72.38 139.45 81.5 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.925 ' HD2' HD13 ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.0 114.64 4.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.461 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 126.58 -10.59 7.17 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.514 1.133 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.555 HG21 ' O ' ' A' ' 59' ' ' PHE . 38.1 t -94.63 127.56 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -79.86 -56.71 4.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.7 p -152.23 165.01 36.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 110.009 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 81.4 p -136.89 170.53 15.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.426 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.503 ' HB1' ' CD1' ' A' ' 181' ' ' TYR . . . -155.22 131.89 10.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -97.02 139.33 33.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -170.91 -160.36 19.22 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -140.89 164.74 29.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 0.786 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.1 t -166.6 164.72 16.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.37 -19.68 51.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.11 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.524 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -77.25 178.4 51.56 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -114.56 -18.62 11.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.789 . . . . 0.0 111.015 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.922 HG21 ' OE2' ' A' ' 84' ' ' GLU . 18.8 m -74.41 122.18 86.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 151.35 39.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 111.041 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.493 HD22 ' N ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER 40.58 63.3 5.61 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 17.9 Cg_endo -75.08 153.88 41.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 57.6 p -114.13 154.15 28.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -49.93 -41.61 46.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -65.65 -32.31 73.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.242 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.922 ' OE2' HG21 ' A' ' 77' ' ' THR . 4.7 tt0 -66.81 -45.35 78.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 39.7 t -54.73 -45.77 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -26.95 68.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 p -67.45 -40.01 85.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.09 10.62 85.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.135 . . . . 0.0 111.036 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.3 9.84 41.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.509 HG22 ' HG2' ' A' ' 84' ' ' GLU . 2.8 p -107.33 -24.35 11.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.369 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.0 14.43 70.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.524 ' CG ' ' HA3' ' A' ' 75' ' ' GLY . 30.4 m-70 -79.19 158.23 27.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 109.663 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -121.24 161.7 21.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.406 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 63.0 mm-40 -82.87 112.85 20.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.79 166.01 20.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.365 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.3 t -146.68 139.28 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 179' ' ' PHE . 18.3 ttm180 -97.56 141.65 30.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.523 HG12 ' CG ' ' A' ' 59' ' ' PHE . 4.6 mp -136.11 134.12 50.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.791 HG22 ' CG1' ' A' ' 44' ' ' ILE . 76.3 t -120.01 104.05 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.613 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 4.6 p90 -126.16 177.72 6.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.479 ' CA ' ' SD ' ' A' ' 42' ' ' MET . 0.6 OUTLIER -106.88 132.66 20.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -4.9 16.09 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.575 1.829 . . . . 0.0 110.98 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.88 -17.26 20.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.065 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.1 t -106.24 -47.04 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.816 HD11 ' CD1' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -116.87 152.13 18.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.439 ' N ' HG12 ' A' ' 105' ' ' ILE . 60.6 p -116.71 160.76 20.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.05 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.475 ' CG ' ' HG3' ' A' ' 145' ' ' GLN . 5.7 m-85 -70.62 -31.21 68.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.104 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 109' ' ' GLN . 9.0 pt-20 -63.06 -41.53 99.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.433 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 3.2 pt20 -75.95 -34.92 59.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.344 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.816 ' CD1' HD11 ' A' ' 105' ' ' ILE . 13.1 mt -60.86 -48.74 80.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.17 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.515 ' HB3' ' CE2' ' A' ' 115' ' ' TRP . 5.7 mt -68.4 -33.4 74.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.545 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 0.4 OUTLIER -53.8 -49.87 67.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.257 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.477 ' CG1' HD11 ' A' ' 58' ' ' LEU . 3.1 t -73.18 -33.33 41.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 118' ' ' HIS . 9.8 t80 -58.74 -49.08 78.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 152' ' ' SER . 3.2 m0 -62.71 -20.91 65.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 108.009 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -80.24 -36.41 34.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.442 ' HB3' ' HE2' ' A' ' 49' ' ' MET . 0.7 OUTLIER -95.53 -3.19 47.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.487 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 24.6 t-80 -77.37 165.18 24.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.562 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.487 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 12.9 t70 -107.91 143.92 28.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 160.06 40.74 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.429 1.752 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.469 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 40.4 p90 -117.62 127.17 53.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.13 167.36 20.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.467 ' CB ' ' CD2' ' A' ' 118' ' ' HIS . 17.7 p -94.53 98.74 11.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 110.055 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.407 ' HB3' ' CE1' ' A' ' 139' ' ' TYR . . . -129.93 160.06 34.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.798 HG22 ' HD3' ' A' ' 140' ' ' PRO . 42.0 mt -126.86 131.0 71.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.422 1.077 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.537 ' CD1' ' N ' ' A' ' 139' ' ' TYR . 3.5 m-85 -128.35 77.96 76.31 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.798 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.4 Cg_endo -74.94 166.68 28.72 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 176' ' ' ALA . 0.1 OUTLIER -110.63 -59.09 2.0 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 66.4 p -62.22 160.92 28.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -34.75 3.53 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -68.06 -49.85 58.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.346 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.475 ' HG3' ' CG ' ' A' ' 107' ' ' TYR . 12.9 tt0 -55.4 -39.7 70.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.35 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -54.09 46.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.09 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.726 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -60.91 -31.79 71.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.18 -50.56 26.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.593 ' HB1' HG21 ' A' ' 138' ' ' ILE . . . -56.55 -57.08 13.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.473 ' CG ' ' HA ' ' A' ' 147' ' ' ALA . 1.1 ppt_? -60.68 -31.67 70.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -61.9 -39.27 91.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 4.3 p -72.56 -32.32 65.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.978 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.559 ' O ' HD23 ' A' ' 153' ' ' LEU . 2.7 tt -63.92 -49.08 74.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -69.77 -20.65 63.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -81.22 -54.39 5.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -60.14 -39.69 87.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 160' ' ' MET . 0.3 OUTLIER -62.8 -44.28 96.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.15 -32.54 69.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.9 -48.74 79.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.519 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 7.1 ptm -68.1 -32.16 72.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.519 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -64.34 -35.73 81.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.38 -23.06 66.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -92.36 12.3 23.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 5.2 t0 57.9 34.8 24.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.73 121.45 39.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -88.41 13.02 12.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.51 69.68 9.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -66.41 137.19 56.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.31 138.43 21.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 2.1 t -95.49 43.33 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.3 m -80.91 125.54 30.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 110.421 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -112.37 136.65 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.252 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 19.9 mt -117.71 123.3 71.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.071 . . . . 0.0 109.276 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -144.88 163.25 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 109.34 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -47.58 163.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.237 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . 0.507 ' HB1' HD12 ' A' ' 46' ' ' ILE . . . -84.71 83.43 8.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 54.5 p -60.67 160.79 17.28 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.377 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 93.64 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.468 1.772 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -80.48 145.44 31.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.953 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -100.46 125.2 46.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 111.047 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.512 ' CB ' HG21 ' A' ' 24' ' ' VAL . 82.4 m-85 -47.26 172.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -118.11 172.02 7.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.579 1.174 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . 0.55 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 4.1 tt0 -43.91 141.65 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -61.42 -23.24 65.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.17 -44.67 71.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . 0.55 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 43.2 m-70 -76.25 -32.55 58.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.615 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 0.645 ' C ' ' HG2' ' A' ' 188' ' ' GLN . 27.7 mm-40 -45.89 111.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.881 ' OE1' ' HB3' ' A' ' 29' ' ' ALA . 5.1 pt20 37.5 60.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.332 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.734 ' CD1' ' CH2' ' A' ' 53' ' ' TRP . 46.3 t80 -85.48 -24.48 27.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.938 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -63.26 -46.59 86.13 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.507 ' CG ' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -58.91 -28.63 66.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.604 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.44 -28.76 59.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.642 ' ND2' ' CE1' ' A' ' 189' ' ' TYR . 7.4 m-80 -127.91 102.49 22.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.405 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.544 1.812 . . . . 0.0 111.06 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.043 -0.407 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 10.6 tpp -70.98 133.95 85.8 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.434 1.084 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 130.81 13.66 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.473 1.775 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.821 HG21 ' HB3' ' A' ' 181' ' ' TYR . 21.4 t -129.79 140.37 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.15 163.45 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 m -76.94 -31.28 56.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.399 1.062 . . . . 0.0 110.372 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.42 ' CB ' ' C ' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -136.85 154.12 50.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.576 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 11.8 t-80 -50.41 157.03 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.174 . . . . 0.0 109.592 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.663 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -85.52 -31.34 22.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.828 HG11 ' CD2' ' A' ' 60' ' ' TRP . 31.8 t -84.76 -69.25 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 66' ' ' TYR . 2.1 t-20 -55.19 -40.35 70.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.27 23.04 66.57 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.555 ' CD2' ' O ' ' A' ' 34' ' ' SER . 5.3 t60 -129.68 162.09 29.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.733 . . . . 0.0 109.646 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.555 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 48.9 m -47.59 139.97 6.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.033 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.5 mtp -98.31 -65.15 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 110.966 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.2 t -49.99 -22.69 1.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.415 ' HB2' ' CB ' ' A' ' 34' ' ' SER . 20.0 m-20 -75.67 129.99 38.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.252 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.676 HG21 HD11 ' A' ' 44' ' ' ILE . 24.6 t -130.63 105.28 15.7 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.239 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 143.82 29.46 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.437 1.756 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.81 133.12 47.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.54 -7.37 32.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.0 mtt -115.04 164.72 13.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 110.951 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.18 167.74 20.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 110.297 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.77 ' CG1' HG22 ' A' ' 99' ' ' VAL . 3.2 mp -118.77 147.85 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -125.36 128.89 48.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.619 1.199 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.516 HG22 ' CD2' ' A' ' 139' ' ' TYR . 26.1 mt -122.72 123.98 69.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.465 ' HE1' HD13 ' A' ' 98' ' ' ILE . 1.5 p90 -156.96 161.92 39.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.79 140.77 52.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.484 ' HE1' ' HB3' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -146.4 165.9 27.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.956 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -36.84 -72.29 0.16 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.564 1.165 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.64 -179.31 6.37 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.462 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 2.6 p90 -145.8 -44.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.824 ' HB3' HD23 ' A' ' 190' ' ' LEU . 17.0 m0 -67.58 -43.29 80.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 108.02 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.72 -37.7 25.83 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.882 ' HA ' HD23 ' A' ' 58' ' ' LEU . 39.2 t -52.36 -57.12 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.445 0.733 . . . . 0.0 109.281 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 14.7 pt-20 -63.44 -41.37 98.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.679 ' HE ' HD12 ' A' ' 190' ' ' LEU . 2.0 tmm_? -61.42 -34.69 75.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.882 HD23 ' HA ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -75.36 -20.23 59.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.772 ' HD1' HG21 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -78.76 -59.71 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.828 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -56.21 -51.43 68.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 108.022 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.583 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 1.6 mm-40 -48.57 -22.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 0.3 OUTLIER -76.63 137.75 66.9 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.5 Cg_endo -74.93 111.68 3.38 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.578 1.831 . . . . 0.0 111.043 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.15 -10.43 5.36 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.14 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.772 HG21 ' HD1' ' A' ' 59' ' ' PHE . 74.6 t -95.26 134.92 30.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 0.748 . . . . 0.0 109.363 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.456 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.5 OUTLIER -85.22 -57.38 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 111.044 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.0 m -150.94 166.89 29.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.914 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.485 ' H ' ' CD2' ' A' ' 28' ' ' HIS . 30.7 p -140.32 136.69 33.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.431 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.499 ' HB3' ' CG ' ' A' ' 97' ' ' ARG . . . -121.96 144.01 49.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.704 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -111.1 139.97 46.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.705 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -172.13 -155.94 11.71 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.577 1.173 . . . . 0.0 111.011 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.489 ' CD1' ' HG2' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -147.07 168.02 22.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 110.968 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.9 t -173.17 168.63 4.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.457 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.63 -19.62 51.65 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.542 1.151 . . . . 0.0 111.038 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.57 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -76.18 -171.79 32.86 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -115.13 -28.96 6.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.7 m -74.64 120.81 83.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 143.76 29.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.541 1.811 . . . . 0.0 110.959 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.435 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 34.2 m120 47.52 63.39 10.28 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.568 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.03 170.21 20.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.529 1.805 . . . . 0.0 111.005 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.835 ' O ' HG23 ' A' ' 85' ' ' VAL . 56.9 m -117.2 163.0 16.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.632 ' CE1' ' CE1' ' A' ' 186' ' ' HIS . 36.8 t80 -61.96 -46.86 87.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.996 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -35.57 79.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -69.26 -45.23 70.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 81' ' ' THR . 72.6 t -57.99 -43.04 84.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.95 -32.2 65.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.21 -39.95 73.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.149 . . . . 0.0 109.938 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.43 6.86 70.2 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.24 -0.61 46.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.1 p -89.1 -23.65 22.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.35 11.0 58.57 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.57 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 48.4 m-70 -85.81 147.5 26.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.642 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -116.2 153.16 32.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -69.95 111.44 5.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 71' ' ' GLY . . . -131.88 156.68 45.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.704 HG12 ' HA ' ' A' ' 70' ' ' ALA . 34.8 m -143.92 140.13 25.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.499 ' CG ' ' HB3' ' A' ' 69' ' ' ALA . 10.4 ptm180 -109.55 124.65 51.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.323 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.668 HG21 ' CD1' ' A' ' 59' ' ' PHE . 3.3 mp -116.28 134.44 59.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.363 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.77 HG22 ' CG1' ' A' ' 44' ' ' ILE . 61.3 t -108.59 106.13 20.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.458 ' HE2' ' HB2' ' A' ' 45' ' ' ALA . 42.5 p90 -121.83 178.79 4.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.84 125.94 31.95 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.5 Cg_endo -74.94 -3.72 14.34 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.12 -21.51 17.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.0 t -104.59 -33.24 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.771 HD13 ' N ' ' A' ' 106' ' ' SER . 0.2 OUTLIER -145.5 131.91 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.157 . . . . 0.0 109.272 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.771 ' N ' HD13 ' A' ' 105' ' ' ILE . 9.9 p -92.21 161.37 14.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.045 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.625 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 2.3 p90 -68.8 -32.99 73.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.961 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.625 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -57.0 -47.62 80.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.516 ' HB2' HD11 ' A' ' 105' ' ' ILE . 51.5 mt-30 -59.84 -32.55 70.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.6 mt -73.98 -31.55 63.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.69 -49.86 74.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.487 ' HG3' ' N ' ' A' ' 113' ' ' VAL . 0.1 OUTLIER -64.01 -34.2 77.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.487 ' N ' ' HG3' ' A' ' 112' ' ' GLN . 2.2 t -61.44 -52.4 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 118' ' ' HIS . 16.1 m-30 -55.61 -48.73 74.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.522 ' HB3' ' CE1' ' A' ' 156' ' ' PHE . 63.5 m95 -64.26 -15.49 60.23 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.14 -32.5 17.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.484 ' HB3' ' HE1' ' A' ' 49' ' ' MET . 27.1 t-20 -98.76 0.05 43.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -77.74 164.43 25.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.614 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.527 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 0.2 OUTLIER -113.44 152.53 45.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 160.77 39.58 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.531 1.806 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.928 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.604 ' HG2' HG12 ' A' ' 85' ' ' VAL . 2.8 mp0 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -128.96 126.24 39.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -145.42 108.86 4.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.616 1.197 . . . . 0.0 110.302 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.65 98.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.032 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -135.91 164.42 28.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.372 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.787 HG22 ' HD3' ' A' ' 140' ' ' PRO . 81.3 mt -124.01 135.09 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.516 ' CD2' HG22 ' A' ' 46' ' ' ILE . 33.5 m-85 -130.42 77.38 76.12 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.983 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.2 Cg_endo -74.91 168.14 25.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.557 1.819 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 141' ' ' LEU . 4.0 mm? -101.18 -46.1 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 4.9 p -87.96 161.26 44.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -35.33 3.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.41 -36.32 71.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.517 ' HG2' ' CG ' ' A' ' 107' ' ' TYR . 34.3 mt-30 -73.84 -39.7 63.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.59 -42.91 77.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.407 1.067 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -68.22 -34.8 76.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.478 ' O ' ' HB3' ' A' ' 151' ' ' ALA . . . -75.62 -41.25 54.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.393 1.058 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.8 -59.2 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.259 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.493 ' HG3' ' N ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -55.86 -27.09 50.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.493 ' N ' ' HG3' ' A' ' 150' ' ' ARG . . . -70.59 -45.54 65.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 79.8 p -69.44 -43.3 73.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.037 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.643 ' O ' HD23 ' A' ' 153' ' ' LEU . 3.9 tt -59.12 -51.07 71.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -60.06 -20.87 60.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.95 -58.61 2.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.226 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 115' ' ' TRP . 4.5 t80 -53.19 -38.09 62.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 160' ' ' MET . 5.3 tt0 -64.11 -48.42 76.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.286 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.6 -30.27 65.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.315 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.27 -48.25 78.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.59 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 6.9 ptm -67.16 -31.03 71.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.937 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.59 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -65.75 -35.79 81.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.03 -18.03 63.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 160' ' ' MET . . . -77.56 -4.1 44.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.1 t70 79.38 32.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -109.14 123.98 50.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 168' ' ' HIS . 0.3 OUTLIER -77.32 -38.54 50.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.16 82.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 166' ' ' ASP . 4.6 p-80 -73.41 147.68 44.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.568 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.29 127.06 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 170' ' ' THR . 20.8 m -91.06 49.67 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.454 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 95.0 m -85.71 132.17 34.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.357 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -122.07 140.92 51.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.238 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 13.5 mt -114.17 122.33 68.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -129.7 166.51 19.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -53.38 165.1 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . 0.983 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -81.46 84.9 6.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . 0.435 ' H ' HG23 ' A' ' 177' ' ' THR . 18.4 p -65.32 164.82 21.02 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 115.89 4.42 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.539 1.81 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.566 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -77.88 143.18 37.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -119.38 107.56 13.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 110.954 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.821 ' HB3' HG21 ' A' ' 24' ' ' VAL . 28.9 m-85 -38.14 157.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.705 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -118.6 174.9 5.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . 0.551 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 1.4 tp10 -37.76 130.93 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -52.94 -23.28 6.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.85 -43.64 83.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . 0.632 ' CE1' ' CE1' ' A' ' 82' ' ' TYR . 89.3 m-70 -62.52 -33.51 75.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.633 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -52.74 110.59 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 110.302 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.663 ' OE1' ' HB3' ' A' ' 29' ' ' ALA . 3.4 mp0 50.24 58.91 4.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.747 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 7.0 t80 -85.45 -25.66 26.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.824 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -76.43 -46.79 25.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.32 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -31.66 65.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.589 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -65.98 -35.67 81.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.4 OUTLIER -140.08 105.33 6.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.555 1.818 . . . . 0.0 111.003 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -70.61 142.65 89.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 140.13 24.94 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.667 HG21 ' CB ' ' A' ' 181' ' ' TYR . 85.8 t -134.74 140.5 45.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.81 164.69 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.511 HG22 HD13 ' A' ' 27' ' ' LEU . 7.3 m -91.94 -44.52 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.437 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.597 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -110.6 137.76 47.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.582 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 17.6 t-80 -52.67 156.53 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.584 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.513 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -86.1 -24.57 26.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.061 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 1.052 HG11 ' CD2' ' A' ' 60' ' ' TRP . 41.4 t -95.27 -69.27 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.1 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 0.5 OUTLIER -56.2 -39.89 73.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 78.06 18.49 76.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.433 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -118.79 171.33 8.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.559 0.799 . . . . 0.0 109.613 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.434 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -38.73 149.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.968 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' THR . 27.1 mmm -98.58 -64.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.2 t -77.84 -32.67 52.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.409 1.068 . . . . 0.0 110.431 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.434 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.3 OUTLIER -61.85 128.99 38.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 1.108 HG21 HD11 ' A' ' 44' ' ' ILE . 72.0 t -127.54 113.58 21.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 109.327 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 139.78 24.85 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.557 1.819 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -43.66 128.39 5.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.33 -10.62 31.05 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.493 1.12 . . . . 0.0 110.952 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.581 ' HB3' HG13 ' A' ' 38' ' ' VAL . 31.7 tpp -104.72 147.35 27.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.762 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -128.49 158.98 36.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 1.108 HD11 HG21 ' A' ' 38' ' ' VAL . 3.4 mt -114.63 157.52 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.606 ' HB3' HG22 ' A' ' 98' ' ' ILE . . . -150.61 135.21 17.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.579 HD12 ' HB1' ' A' ' 176' ' ' ALA . 37.8 mt -103.99 131.65 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.55 ' HE1' ' HB1' ' A' ' 45' ' ' ALA . 30.2 m-85 -143.72 149.53 37.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -132.64 120.25 21.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.596 ' SD ' ' CZ ' ' A' ' 114' ' ' PHE . 0.2 OUTLIER -129.61 -172.25 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -63.34 -70.85 0.95 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.517 1.135 . . . . 0.0 110.983 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.5 m -63.71 178.22 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.484 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -129.04 -63.65 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.591 ' CE3' ' CD1' ' A' ' 189' ' ' TYR . 2.0 m0 -73.87 -36.86 64.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 108.021 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.1 -45.57 91.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.839 ' HA ' HD23 ' A' ' 58' ' ' LEU . 89.7 t -54.2 -62.48 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.773 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.79 -35.14 77.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 110.247 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.516 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 2.3 ttt-85 -65.69 -30.91 71.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.839 HD23 ' HA ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -76.99 -20.47 56.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.828 ' CZ ' HG23 ' A' ' 98' ' ' ILE . 14.8 t80 -83.93 -58.3 2.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 1.052 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -53.9 -51.46 63.64 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.535 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 6.7 mm100 -53.55 -18.41 2.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.454 HD23 ' N ' ' A' ' 63' ' ' PRO . 7.3 tt -84.61 137.11 38.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.454 ' N ' HD23 ' A' ' 62' ' ' LEU . 18.3 Cg_endo -74.97 107.91 2.59 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.434 1.755 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.426 ' HA3' ' HB ' ' A' ' 105' ' ' ILE . . . 141.03 -12.04 2.84 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.601 1.188 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.679 HG22 ' CE2' ' A' ' 59' ' ' PHE . 77.2 t -87.38 135.21 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.555 ' CD1' ' HE1' ' A' ' 42' ' ' MET . 3.1 t80 -89.31 -46.13 8.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 1.082 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.3 p -159.66 168.02 27.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.063 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.479 ' H ' ' CD2' ' A' ' 28' ' ' HIS . 10.6 p -149.0 140.45 23.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.396 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.7 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . . . -137.27 159.97 40.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.611 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -123.09 139.62 53.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -162.7 -165.79 20.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.411 ' O ' ' HB ' ' A' ' 73' ' ' THR . 16.6 m-85 -130.73 159.41 37.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.426 HG22 ' CB ' ' A' ' 95' ' ' ALA . 7.7 t -175.75 165.62 3.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.387 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.31 -17.55 56.73 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.535 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -88.65 -174.38 47.08 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -113.61 -21.45 10.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 110.972 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.443 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 1.4 m -75.3 117.7 65.14 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 110.354 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 147.53 33.8 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.526 1.803 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.43 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 81.6 m-20 45.56 63.95 8.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.2 Cg_endo -74.98 164.16 33.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.0 m -113.29 153.33 28.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.422 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -53.86 -43.87 69.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.11 -42.64 75.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.37 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -65.58 -44.23 87.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.264 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.7 t -59.09 -38.0 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.339 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.3 p -70.89 -32.08 68.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.069 . . . . 0.0 110.05 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 73.5 m -62.19 -37.67 86.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.99 12.72 61.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.591 1.182 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.52 9.16 35.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.3 p -113.17 -25.15 9.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.428 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.26 22.39 72.73 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.562 1.164 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.535 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 23.6 m-70 -91.17 156.38 17.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 0.761 . . . . 0.0 109.613 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -115.6 153.54 31.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.409 ' OE1' ' O ' ' A' ' 49' ' ' MET . 0.0 OUTLIER -77.6 109.95 12.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.426 ' CB ' HG22 ' A' ' 73' ' ' THR . . . -123.32 163.22 21.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.611 HG12 ' HA ' ' A' ' 70' ' ' ALA . 19.2 m -140.67 160.4 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.071 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.7 ' HB3' ' HB3' ' A' ' 69' ' ' ALA . 24.8 ttp180 -99.63 127.77 45.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.828 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 0.8 OUTLIER -115.65 117.87 56.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.367 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 66' ' ' TYR . 15.4 t -119.97 106.15 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.492 ' CD2' HD11 ' A' ' 110' ' ' LEU . 47.4 p90 -133.68 173.96 10.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.474 ' C ' ' H ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -117.23 130.07 24.89 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.0 Cg_endo -75.03 18.43 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.474 ' H ' ' C ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -103.96 -29.19 11.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.997 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 68.8 t -109.56 -30.17 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.256 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.521 HD13 ' H ' ' A' ' 106' ' ' SER . 0.1 OUTLIER -145.65 130.84 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.521 ' H ' HD13 ' A' ' 105' ' ' ILE . 1.4 p -86.68 164.32 16.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.616 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 36.0 p90 -71.36 -45.47 62.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.616 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 3.4 pt-20 -52.57 -29.36 25.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.07 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.496 ' HB2' ' CD1' ' A' ' 105' ' ' ILE . 40.8 mt-30 -71.46 -42.08 68.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.492 HD11 ' CD2' ' A' ' 100' ' ' TYR . 38.2 mt -52.59 -52.89 53.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.242 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 108' ' ' GLU . 2.6 mt -52.82 -42.14 64.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.75 -49.47 65.42 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.564 ' CG1' HD11 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -69.85 -48.39 64.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.596 ' CZ ' ' SD ' ' A' ' 49' ' ' MET . 3.5 t80 -53.94 -48.96 69.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.507 ' HH2' HG21 ' A' ' 171' ' ' THR . 42.6 m95 -64.68 -21.83 66.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.044 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -83.91 -35.99 23.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -92.85 2.03 56.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.58 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -75.53 168.19 20.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.615 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.58 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 19.2 m-20 -109.91 151.23 42.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 158.71 42.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 167' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' TYR . . . . . 0.489 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 35.2 p90 -121.01 127.78 52.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -141.58 150.17 41.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.212 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.43 92.32 7.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.041 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -127.37 159.25 35.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 14.0 mt -120.57 135.26 61.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.371 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -129.9 77.79 76.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 161.9 37.84 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.49 1.784 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.671 HD12 ' HB3' ' A' ' 176' ' ' ALA . 10.9 tp -109.51 -54.94 2.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.1 p -69.97 161.26 76.45 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.122 . . . . 0.0 110.411 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -41.0 0.73 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.511 1.795 . . . . 0.0 111.054 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -61.77 -34.06 75.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.365 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -70.77 -41.82 71.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -40.84 97.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.518 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -69.25 -38.72 78.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.43 -45.81 65.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.48 -56.54 19.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.21 -31.36 72.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -64.28 -39.08 93.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 22.1 p -73.94 -36.59 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.02 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . 0.894 HD11 HG23 ' A' ' 171' ' ' THR . 4.6 tt -59.45 -52.4 65.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -57.67 -32.8 67.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -35.8 46.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.441 ' CE2' ' CE3' ' A' ' 115' ' ' TRP . 22.5 t80 -70.4 -52.22 23.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -63.24 -35.71 81.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.0 -43.75 82.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.51 -44.75 86.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.586 1.179 . . . . 0.0 109.353 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' MET . . . . . 0.428 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 7.1 ttp -60.16 -47.83 84.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.497 HD22 ' O ' ' A' ' 165' ' ' ASP . 0.1 OUTLIER -64.08 -34.97 79.25 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.77 -18.86 63.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.592 1.183 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -83.53 -6.54 59.48 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.401 1.063 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 1.1 t70 81.97 30.4 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' ASP . . . . . 0.497 ' O ' HD22 ' A' ' 161' ' ' LEU . 57.7 m-20 -103.06 122.69 45.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.36 12.67 15.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.414 1.072 . . . . 0.0 109.365 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 0.7 OUTLIER -87.07 72.7 9.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 0.0 110.345 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 134.26 54.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.562 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.2 mp -75.08 139.37 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 78.9 m -97.59 35.57 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.395 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' THR . . . . . 0.894 HG23 HD11 ' A' ' 153' ' ' LEU . 2.6 t -78.39 132.71 37.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.448 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -118.86 140.5 49.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.286 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 76.4 mt -108.74 122.67 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -134.99 167.11 21.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 177' ' ' THR . 9.0 p-10 -60.61 150.6 31.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' ALA . . . . . 0.671 ' HB3' HD12 ' A' ' 141' ' ' LEU . . . -65.72 75.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . 0.531 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -61.74 160.29 28.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 108.5 2.73 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 1.3 p90 -93.99 144.68 25.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' TYR . . . . . 0.407 ' O ' ' O ' ' A' ' 181' ' ' TYR . 20.2 m-85 -93.3 119.23 32.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.45 1.094 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' TYR . . . . . 0.667 ' CB ' HG21 ' A' ' 24' ' ' VAL . 77.8 m-85 -46.68 174.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.972 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 182' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -126.78 170.33 12.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 183' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 182' ' ' ALA . 1.9 mm-40 -38.1 132.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -52.86 -22.86 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.92 -45.01 87.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -60.8 -46.18 91.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.525 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 0.54 ' OE1' ' HB3' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -52.6 115.43 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 188' ' ' GLN . . . . . 0.582 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 4.9 mp0 53.37 54.65 9.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 189' ' ' TYR . . . . . 0.591 ' CD1' ' CE3' ' A' ' 53' ' ' TRP . 29.3 t80 -85.48 -28.27 25.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.418 ' HB3' ' CD ' ' A' ' 57' ' ' ARG . 0.6 OUTLIER -76.85 -46.47 24.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.249 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 191' ' ' HIS . . . . . 0.4 ' CD2' ' HB3' ' A' ' 188' ' ' GLN . 0.0 OUTLIER -56.4 -28.68 60.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.113 . . . . 0.0 109.519 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -40.55 96.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 193' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -140.39 119.97 8.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.236 0 O-C-N 124.414 1.744 . . . . 0.0 111.012 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.771 HD22 ' C ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -63.09 143.25 57.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.481 ' N ' HD22 ' A' ' 2' ' ' LEU . 0.7 OUTLIER -135.01 155.87 50.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -61.68 91.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -118.93 148.33 43.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.14 56.49 3.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -119.79 -49.72 2.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.562 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.005 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -68.83 157.51 36.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.618 ' O ' HD22 ' A' ' 8' ' ' LEU . 6.6 p -49.04 143.63 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.84 165.98 48.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -21.76 15.44 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.51 1.795 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.1 -23.77 51.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.445 ' HB3' ' CG2' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -92.7 -36.5 12.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.13 81.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.22 160.17 27.81 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 100.18 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.83 -70.19 1.04 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.445 1.091 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.2 mtt-85 -128.91 144.21 51.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 0.793 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 76.0 m-80 -100.04 25.7 7.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.1 p -117.79 111.17 39.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.404 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 142.08 27.38 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.66 146.33 93.51 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 134.66 18.05 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.52 1.8 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.81 HG21 ' HB3' ' A' ' 181' ' ' TYR . 13.2 t -131.69 132.78 62.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 156.7 6.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 35' ' ' MET . 55.3 m -81.52 -45.2 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 34' ' ' SER . 0.4 OUTLIER -98.67 138.95 35.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.553 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 22.7 t-80 -55.13 157.51 3.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.588 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.814 ' HB3' ' CD ' ' A' ' 188' ' ' GLN . . . -84.0 -27.36 28.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.963 HG11 ' CD2' ' A' ' 60' ' ' TRP . 54.9 t -95.55 -67.58 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -54.75 -38.99 67.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.9 15.28 81.78 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.85 171.0 8.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 109.574 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.423 ' N ' HD12 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -39.25 140.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.458 ' O ' ' NH2' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -93.51 -51.55 4.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 110.961 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -85.1 -46.31 11.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.395 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.89 126.45 24.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 1.081 HG21 HD11 ' A' ' 44' ' ' ILE . 6.4 t -118.96 117.23 33.8 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 146.26 32.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.57 131.62 43.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 106.36 1.3 37.97 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.443 ' HB2' HG13 ' A' ' 38' ' ' VAL . 79.2 mmm -114.68 160.66 19.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 0.735 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.6 157.46 46.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 1.081 HD11 HG21 ' A' ' 38' ' ' VAL . 2.3 mp -113.41 156.99 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -154.63 130.87 10.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.7 mt -104.61 138.88 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.493 ' CE2' HG23 ' A' ' 138' ' ' ILE . 34.7 m-85 -153.65 144.17 22.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -125.06 127.64 47.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.42 179.76 5.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.75 -79.99 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.87 178.34 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER -136.38 -49.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.631 ' CZ3' ' CE1' ' A' ' 189' ' ' TYR . 25.0 m0 -72.78 -37.06 67.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 107.999 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.484 ' O ' ' CB ' ' A' ' 58' ' ' LEU . . . -79.19 -28.65 52.95 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.3 t -73.49 -50.8 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 11.3 pt-20 -55.69 -52.15 64.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -68.76 -23.84 64.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.484 ' CB ' ' O ' ' A' ' 54' ' ' GLY . 2.6 tp -66.39 -28.33 68.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.541 ' CG ' HG12 ' A' ' 98' ' ' ILE . 23.6 m-85 -78.45 -52.26 8.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.963 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -61.88 -55.92 24.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 108.0 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.518 ' N ' ' CG ' ' A' ' 60' ' ' TRP . 2.2 mt-30 -47.99 -23.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.707 HD11 HG21 ' A' ' 113' ' ' VAL . 6.5 tt -77.54 135.81 64.5 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.422 ' N ' HD23 ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.06 106.29 2.25 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.515 1.797 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.435 ' HA2' ' CG1' ' A' ' 104' ' ' VAL . . . 142.02 -17.84 2.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.421 HG11 ' CG2' ' A' ' 68' ' ' THR . 17.0 t -92.52 130.81 41.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 0.777 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 99' ' ' VAL . 1.6 t80 -80.66 -56.86 3.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.9 m -150.41 163.59 37.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.435 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 36.1 p -148.8 167.0 26.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.399 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.11 153.44 32.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.894 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -106.8 140.2 40.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.442 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -167.94 -168.02 29.44 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -132.77 164.82 25.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 0.804 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.52 HG22 ' HB3' ' A' ' 95' ' ' ALA . 1.3 t -170.2 171.17 6.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.457 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.406 ' N ' ' OG1' ' A' ' 73' ' ' THR . . . 94.51 -20.17 49.72 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.531 1.145 . . . . 0.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.5 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -82.39 -177.56 51.96 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -114.56 -22.29 9.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.4 m -74.77 125.37 89.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 154.7 42.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.776 . . . . 0.0 110.962 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.404 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 20.7 m-80 45.43 64.82 7.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.5 Cg_endo -74.95 137.75 22.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.538 1.809 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.671 ' O ' HG23 ' A' ' 85' ' ' VAL . 2.3 m -111.68 155.04 24.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -63.35 -28.77 70.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.86 -52.0 28.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -73.8 -44.61 55.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.444 1.09 . . . . 0.0 110.333 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 81' ' ' THR . 47.2 t -53.5 -37.94 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.361 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.2 t -59.89 -23.81 63.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.7 m -71.85 -39.59 69.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.418 ' HA2' ' NE2' ' A' ' 133' ' ' GLN . . . 92.22 8.89 62.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -88.29 12.07 14.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.4 p -111.27 -24.54 10.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.387 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.07 6.08 63.53 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.5 ' CG ' ' HA3' ' A' ' 75' ' ' GLY . 31.7 m-70 -73.17 158.25 35.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 109.575 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -127.81 162.08 27.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 15.3 pt-20 -71.59 135.08 46.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.52 ' HB3' HG22 ' A' ' 73' ' ' THR . . . -161.37 150.04 15.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.894 HG12 ' HA ' ' A' ' 70' ' ' ALA . 25.4 m -138.56 155.35 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.458 ' NH2' ' O ' ' A' ' 35' ' ' MET . 50.1 ttp180 -97.49 139.41 33.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.541 HG12 ' CG ' ' A' ' 59' ' ' PHE . 4.6 mp -126.28 119.1 53.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.719 HG22 ' CG1' ' A' ' 44' ' ' ILE . 59.0 t -113.03 99.48 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.751 ' CD1' HG23 ' A' ' 105' ' ' ILE . 39.3 p90 -124.52 177.09 6.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.24 137.86 20.71 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.05 -3.04 13.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.534 1.807 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t -92.92 -19.29 21.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.435 ' CG1' ' HA2' ' A' ' 64' ' ' GLY . 92.2 t -109.67 -46.83 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.751 HG23 ' CD1' ' A' ' 100' ' ' TYR . 1.8 tp -132.83 139.52 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.6 p -107.28 166.25 10.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -59.86 -33.1 71.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -67.93 -42.81 80.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -62.84 -43.55 98.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.534 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 27.0 mt -61.54 -40.89 96.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.2 mt -64.35 -42.81 96.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.62 -47.05 73.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.707 HG21 HD11 ' A' ' 62' ' ' LEU . 2.7 t -66.49 -46.55 86.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -51.98 -52.82 47.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 44.0 m95 -62.82 -23.72 67.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 107.997 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -32.76 59.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -101.65 4.26 40.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -78.47 163.49 25.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.567 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.64 159.57 28.89 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.26 41.59 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.482 1.78 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.607 ' HB1' ' O ' ' A' ' 168' ' ' HIS . . . -85.1 128.1 34.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.485 ' HB2' HD11 ' A' ' 203' ' ' ILE . 1.0 OUTLIER -116.63 -7.41 11.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 74.83 29.73 60.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.523 1.14 . . . . 0.0 111.025 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.9 ttt -41.32 121.64 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.62 170.15 10.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -80.9 150.52 29.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -176.28 -123.5 0.77 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.434 1.084 . . . . 0.0 110.963 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -83.58 159.99 21.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 0.776 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.78 103.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.436 ' H ' HG23 ' A' ' 132' ' ' THR . 17.7 m-70 -143.43 94.11 2.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.568 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 61.82 31.0 76.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.436 HG23 ' H ' ' A' ' 130' ' ' HIS . 3.0 p -74.97 -32.62 61.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 110.376 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.418 ' NE2' ' HA2' ' A' ' 88' ' ' GLY . 2.3 tp60 -72.09 -27.39 62.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 110.342 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -109.97 125.38 52.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -150.01 173.05 14.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 77.5 p -100.23 110.42 22.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -133.65 160.33 37.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.493 HG23 ' CE2' ' A' ' 47' ' ' PHE . 5.7 mt -120.87 126.78 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -121.91 82.12 42.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.766 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.3 Cg_endo -75.0 167.49 26.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.641 HD22 ' C ' ' A' ' 140' ' ' PRO . 2.7 mm? -115.7 -46.91 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.44 HG23 ' OE1' ' A' ' 145' ' ' GLN . 4.1 p -91.82 161.78 32.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.426 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -35.13 3.31 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -55.42 -51.19 67.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.44 ' OE1' HG23 ' A' ' 142' ' ' THR . 9.9 pt20 -70.57 -36.3 73.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.64 -48.07 75.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -72.74 -36.69 67.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' A' ' 145' ' ' GLN . . . -61.65 -48.88 78.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.36 -50.25 72.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -37.09 85.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.08 -43.51 78.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 18.4 p -70.93 -40.35 72.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.026 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.748 ' C ' HD23 ' A' ' 153' ' ' LEU . 2.7 tt -60.74 -52.49 64.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -61.91 -38.12 87.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -52.66 47.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -62.72 -40.06 96.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.452 ' O ' ' CG ' ' A' ' 160' ' ' MET . 17.7 tt0 -62.93 -44.88 94.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.38 -32.12 68.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.11 -48.66 77.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.49 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 4.7 ptm -68.03 -32.69 73.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.49 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -65.85 -38.83 89.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.48 -19.06 65.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -90.4 -9.4 47.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.6 OUTLIER 81.74 34.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.46 118.11 35.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.05 11.61 13.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.22 71.17 3.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.333 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.607 ' O ' ' HB1' ' A' ' 121' ' ' ALA . 36.4 p-80 -52.22 148.13 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.613 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.614 HD11 HD21 ' A' ' 153' ' ' LEU . 0.1 OUTLIER -69.55 142.78 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 66.5 p -94.76 2.07 55.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.44 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.477 ' CG2' HD12 ' A' ' 153' ' ' LEU . 0.6 OUTLIER -72.93 133.56 44.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.387 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -118.97 128.05 54.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.258 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.419 HD12 HD13 ' A' ' 153' ' ' LEU . 16.4 mt -109.33 121.09 61.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.221 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -147.05 165.35 30.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -42.84 163.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -87.1 87.27 7.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 4.0 p -59.53 162.7 8.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.16 5.53 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.558 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -79.0 141.19 37.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . 0.4 ' O ' ' O ' ' A' ' 181' ' ' TYR . 19.8 m-85 -119.99 108.98 14.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.81 ' HB3' HG21 ' A' ' 24' ' ' VAL . 26.5 m-85 -36.89 155.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.442 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -118.32 174.79 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.571 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 0.4 OUTLIER -38.35 130.44 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 110.329 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.1 -23.11 2.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.45 -33.42 60.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . 0.571 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 63.1 m-70 -69.51 -46.04 67.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 0.612 ' O ' ' HG2' ' A' ' 188' ' ' GLN . 36.7 mm-40 -44.94 122.75 3.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.814 ' CD ' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER 36.18 60.99 0.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.421 1.076 . . . . 0.0 110.309 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.631 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 10.8 t80 -84.41 -25.59 28.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -46.2 67.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -29.08 65.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.563 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -66.38 -37.36 85.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.23 107.14 7.29 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -12.05 21.58 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.504 1.792 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -96.59 3.5 52.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -102.91 61.04 0.49 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 111.044 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -75.45 144.93 41.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.785 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 17.0 p -101.23 -52.15 3.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.295 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 125.45 139.76 5.25 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 3.5 mm -101.23 -60.97 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.43 0.724 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -79.84 97.97 1.66 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.0 68.17 0.29 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.485 HD11 ' HB2' ' A' ' 122' ' ' GLN . 1.8 tt -83.99 155.37 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.754 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -70.57 -175.34 18.35 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.472 1.107 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 29.4 t -92.22 -12.93 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . 0.403 ' O ' ' CD ' ' A' ' 122' ' ' GLN . 1.4 m -45.07 128.63 7.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.029 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 6.4 mt -97.33 152.47 38.26 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 122.48 7.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -170.37 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.82 -58.44 3.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.256 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.1 p . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.33 123.62 27.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 3' ' ' PHE . 53.9 p90 -77.36 123.19 26.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 111.049 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -125.57 126.02 44.12 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.33 64.61 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.46 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 6.1 mtpt -100.46 123.62 44.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.46 ' CD2' ' O ' ' A' ' 6' ' ' LYS . 23.8 m80 -148.02 87.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.586 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -150.63 161.45 42.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.4 HG12 ' HA3' ' A' ' 91' ' ' GLY . 4.2 p -51.09 152.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.1 p -76.1 157.55 83.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.968 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -16.54 20.09 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.1 -28.86 63.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.17 -35.85 12.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.56 79.28 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.05 159.85 28.73 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.574 1.171 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 106.59 2.3 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.465 1.771 . . . . 0.0 111.05 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.55 -33.23 31.75 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.398 1.061 . . . . 0.0 111.045 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.18 138.83 53.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -96.29 -40.88 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 109.216 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.67 HG23 ' HD2' ' A' ' 21' ' ' PRO . 8.4 m -94.06 145.5 29.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.36 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.67 ' HD2' HG23 ' A' ' 20' ' ' THR . 18.1 Cg_endo -75.01 153.3 41.63 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.33 148.77 88.66 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 111.057 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 132.05 14.93 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.779 . . . . 0.0 111.005 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.812 HG21 ' HB3' ' A' ' 181' ' ' TYR . 5.4 t -129.48 131.55 67.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.14 160.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.738 HG22 HD13 ' A' ' 27' ' ' LEU . 1.8 m -89.4 -42.99 11.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.397 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.738 HD13 HG22 ' A' ' 26' ' ' THR . 0.2 OUTLIER -106.77 139.87 40.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.592 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 17.1 t-80 -50.04 150.57 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.637 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.423 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -80.08 -30.08 39.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 1.085 HG11 ' CE2' ' A' ' 60' ' ' TRP . 70.4 t -91.68 -66.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -54.13 -39.88 66.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.28 16.3 76.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.396 1.06 . . . . 0.0 111.005 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.505 ' CG ' ' N ' ' A' ' 34' ' ' SER . 9.8 t60 -131.12 164.12 26.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 109.617 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.505 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 78.0 p -47.2 132.1 12.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.058 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.6 ptm -98.6 -23.15 15.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 111.054 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 38' ' ' VAL . 42.4 p -78.25 -51.82 9.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 110.443 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -54.53 127.01 25.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.975 HG21 HD11 ' A' ' 44' ' ' ILE . 40.4 t -118.54 105.07 46.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 142.92 28.68 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.99 130.07 15.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.362 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.21 -15.86 30.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.543 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 0.7 OUTLIER -104.26 141.1 36.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.596 0.821 . . . . 0.0 111.003 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.69 162.4 22.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.975 HD11 HG21 ' A' ' 38' ' ' VAL . 2.7 mp -113.56 150.28 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -150.8 131.78 14.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.575 HG22 ' CD2' ' A' ' 139' ' ' TYR . 31.0 mt -102.41 138.74 25.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -149.99 148.01 28.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.512 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -128.45 130.05 47.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.766 ' HB3' HG21 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -132.53 171.16 14.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.937 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.81 -54.24 11.97 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.677 ' HB3' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -87.63 179.57 6.5 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.2 p90 -141.11 -44.91 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.98 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.693 ' HB3' HD23 ' A' ' 190' ' ' LEU . 16.5 m0 -70.74 -45.21 65.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 108.042 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 58' ' ' LEU . . . -77.52 -34.31 40.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.476 1.11 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.766 HG21 ' HB3' ' A' ' 49' ' ' MET . 69.1 t -71.7 -39.77 69.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 0.784 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.581 ' OE1' ' HB2' ' A' ' 70' ' ' ALA . 1.8 tt0 -64.86 -55.08 21.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.507 ' HD3' HD12 ' A' ' 190' ' ' LEU . 0.0 OUTLIER -65.53 -24.99 67.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.658 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -67.79 -38.22 83.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.524 ' CG ' HG12 ' A' ' 98' ' ' ILE . 10.5 m-85 -63.44 -50.18 70.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.59 1.181 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 1.085 ' CE2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -67.8 -54.99 14.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 108.033 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.52 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 2.8 mm-40 -48.24 -22.67 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.862 HD13 ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -72.61 140.6 81.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.862 ' HD2' HD13 ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.03 113.61 3.83 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.45 1.763 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.92 -23.95 4.9 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.5 t -87.95 129.53 39.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.543 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 0.2 OUTLIER -81.78 -57.44 3.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.554 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 3.4 m -153.37 166.8 31.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 97' ' ' ARG . 61.8 p -137.93 171.0 15.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.436 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.474 ' HB1' ' CE1' ' A' ' 181' ' ' TYR . . . -146.59 121.57 10.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.456 1.097 . . . . 0.0 109.362 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.846 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -82.94 138.09 33.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -164.41 -166.67 23.72 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.572 ' CD1' ' N ' ' A' ' 72' ' ' TYR . 0.2 OUTLIER -131.94 163.39 28.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 0.802 . . . . 0.0 111.019 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.417 ' OG1' ' CG2' ' A' ' 177' ' ' THR . 13.9 t -171.06 162.69 7.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.43 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.12 -18.85 55.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.513 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -85.91 -178.5 50.08 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -114.54 -24.49 8.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 110.96 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.94 124.98 89.83 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.421 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 155.02 42.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.767 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.4 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 1.0 OUTLIER 41.46 65.21 4.75 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.46 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.03 156.31 42.84 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.543 1.812 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.9 m -113.36 155.37 25.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.388 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -56.33 -48.86 75.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -66.86 -35.62 80.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 110.343 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -67.41 -42.75 82.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.371 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.5 t -62.98 -38.95 83.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.339 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.4 m -60.77 -22.46 64.11 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.942 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.99 -39.58 69.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.043 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.73 11.29 65.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -88.99 -4.52 58.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 0.743 . . . . 0.0 109.279 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 p -102.78 -21.8 14.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.398 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.4 ' HA3' HG12 ' A' ' 9' ' ' VAL . . . 65.53 10.94 51.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.513 ' CG ' ' HA3' ' A' ' 75' ' ' GLY . 31.3 m-70 -72.81 152.21 41.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 109.583 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -119.19 170.25 9.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.512 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 18.1 mm-40 -82.39 126.1 31.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -152.56 149.96 29.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.846 HG12 ' HA ' ' A' ' 70' ' ' ALA . 32.3 m -140.32 163.08 23.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.528 ' CG ' HG23 ' A' ' 44' ' ' ILE . 47.4 ttp180 -101.26 142.94 31.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.176 . . . . 0.0 110.243 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.524 HG12 ' CG ' ' A' ' 59' ' ' PHE . 4.8 mp -126.58 116.57 45.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.412 HG22 ' CG1' ' A' ' 44' ' ' ILE . 35.8 t -109.13 99.82 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.501 ' HD2' HG22 ' A' ' 98' ' ' ILE . 30.4 p90 -129.95 176.78 7.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.593 1.183 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.36 132.85 21.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.2 Cg_endo -74.94 1.55 7.58 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.407 1.74 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.85 -28.98 16.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.6 t -97.44 -50.4 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.487 HG23 ' CD1' ' A' ' 100' ' ' TYR . 16.6 tt -115.37 161.31 14.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.4 p -124.74 147.43 48.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.065 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 26.0 p90 -49.76 -35.63 23.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.594 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 4.4 tp10 -61.7 -43.34 99.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -62.9 -47.74 81.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.407 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 41.3 mt -56.2 -47.62 78.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.386 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 108' ' ' GLU . 5.0 mt -60.43 -43.01 97.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -58.52 -53.8 54.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.732 HG21 HD11 ' A' ' 62' ' ' LEU . 3.8 t -59.05 -51.58 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.539 ' CE2' ' HG3' ' A' ' 49' ' ' MET . 5.9 t80 -55.17 -48.7 73.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.434 1.084 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.449 ' CE3' ' CE2' ' A' ' 156' ' ' PHE . 21.4 m95 -63.61 -20.82 65.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 108.043 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -83.82 -36.77 23.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -90.55 -0.44 57.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.54 169.26 15.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.655 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -112.22 155.1 44.05 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 160.03 40.74 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.583 1.833 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' ' 167' ' ' ARG . . . -84.94 131.67 34.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -130.68 48.08 2.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 74.03 29.99 61.89 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.72 98.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -122.22 167.01 13.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.349 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -92.91 126.72 38.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -169.1 -78.91 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.56 1.162 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.529 ' HB3' ' CE1' ' A' ' 130' ' ' HIS . 0.8 OUTLIER -114.28 155.2 26.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 0.772 . . . . 0.0 109.253 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.64 85.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.529 ' CE1' ' HB3' ' A' ' 128' ' ' ASN . 33.3 m80 -120.18 -40.16 2.73 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.437 1.085 . . . . 0.0 109.599 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -147.87 30.03 1.39 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.431 1.082 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 69.2 p -82.4 -34.94 28.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.781 . . . . 0.0 110.391 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -44.42 -49.19 9.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -113.35 138.63 49.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -141.07 123.64 15.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 31.3 p -69.74 87.98 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -121.44 151.58 40.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.363 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.477 HG22 ' HD3' ' A' ' 140' ' ' PRO . 79.9 mt -115.87 131.67 67.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.575 ' CD2' HG22 ' A' ' 46' ' ' ILE . 76.9 m-85 -124.21 83.19 56.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.493 ' C ' HD22 ' A' ' 141' ' ' LEU . 18.5 Cg_endo -74.96 169.98 21.42 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.489 1.784 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.493 HD22 ' C ' ' A' ' 140' ' ' PRO . 4.2 mm? -115.66 -48.23 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 2.0 p -93.36 164.2 22.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.347 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.409 ' HA ' ' HB2' ' A' ' 146' ' ' ASP . 18.4 Cg_endo -75.03 -34.55 3.71 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 0.0 111.034 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.14 -52.25 63.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.423 ' OE1' ' HA ' ' A' ' 140' ' ' PRO . 6.4 pt20 -71.93 -34.65 69.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 110.25 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.409 ' HB2' ' HA ' ' A' ' 143' ' ' PRO . 0.5 OUTLIER -55.53 -54.25 46.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.77 -46.5 84.96 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -55.89 -41.19 74.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.92 -53.0 63.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -66.89 -39.87 87.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.287 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.8 -35.12 65.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 156' ' ' PHE . 56.1 p -78.22 -42.9 29.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.982 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.682 ' C ' HD23 ' A' ' 153' ' ' LEU . 4.5 tt -58.71 -53.18 61.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -57.06 -30.0 63.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.087 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.79 -31.75 28.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.449 ' CE2' ' CE3' ' A' ' 115' ' ' TRP . 1.4 t80 -69.14 -54.51 14.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' A' ' 160' ' ' MET . 1.0 OUTLIER -60.24 -31.81 70.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 157' ' ' GLN . . . -71.88 -36.42 70.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -57.95 -49.33 77.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.477 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 6.9 ptm -68.28 -33.02 73.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.477 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.0 OUTLIER -63.04 -42.55 99.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.07 -22.79 67.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -83.71 -10.98 57.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.1 t70 82.21 31.95 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.409 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.35 124.38 48.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.238 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -92.31 18.95 7.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . 0.46 ' HB3' ' HB3' ' A' ' 121' ' ' ALA . 37.1 mmt180 -84.33 74.43 10.34 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -69.42 123.35 21.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.652 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.541 ' H ' HD13 ' A' ' 169' ' ' ILE . 0.2 OUTLIER -73.67 139.83 18.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 65.7 m -88.36 56.61 3.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.43 ' CG2' HD12 ' A' ' 153' ' ' LEU . 20.5 m -93.62 124.97 37.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.387 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.07 127.27 50.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 7.0 mt -105.89 122.51 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -143.62 167.89 21.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -48.92 165.72 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.36 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.409 ' HB1' HD12 ' A' ' 46' ' ' ILE . . . -86.42 83.99 7.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . 0.417 ' CG2' ' OG1' ' A' ' 73' ' ' THR . 0.5 OUTLIER -62.57 162.48 20.16 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.355 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 109.5 2.94 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.569 1.826 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 10.3 p90 -87.65 144.63 26.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -99.28 122.95 43.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.812 ' HB3' HG21 ' A' ' 24' ' ' VAL . 7.1 m-85 -44.75 170.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.419 ' O ' ' NE2' ' A' ' 187' ' ' GLN . . . -127.66 171.28 11.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.413 1.071 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -48.11 137.07 10.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 1.081 . . . . 0.0 110.313 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -56.65 -27.06 57.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.213 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.55 -44.35 94.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . 0.459 ' HD1' ' HZ2' ' A' ' 53' ' ' TRP . 73.0 m-70 -69.28 -37.99 78.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.564 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 0.419 ' NE2' ' O ' ' A' ' 182' ' ' ALA . 0.0 OUTLIER -53.15 114.36 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.592 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 7.6 mp0 51.93 54.03 11.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.286 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.585 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 10.1 t80 -85.14 -25.81 27.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.693 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -69.0 -46.38 68.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -29.53 66.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.571 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.12 -29.28 67.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.8 OUTLIER -135.06 99.22 12.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 -10.93 21.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.494 1.786 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -97.64 29.58 3.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -128.38 45.67 1.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.428 1.08 . . . . 0.0 111.002 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . 0.49 ' CG ' ' O ' ' A' ' 197' ' ' TYR . 6.4 p90 -62.99 129.36 40.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 0.79 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.66 -62.19 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 108.329 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 94.37 63.6 1.03 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.482 1.113 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 3.0 mp -60.67 106.22 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.52 0.777 . . . . 0.0 109.202 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 147.75 60.06 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -142.45 158.46 26.95 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 6.7 tt -80.49 120.08 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.266 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -110.74 68.27 0.22 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 73.8 t -129.83 -58.46 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 64.2 p -69.59 71.38 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 32.0 mt -99.75 152.58 37.85 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 152.54 40.61 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.502 1.791 . . . . 0.0 110.95 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 141.72 27.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.018 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -86.97 151.86 22.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 tp -60.09 160.13 8.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -49.79 -43.31 48.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -55.67 171.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.98 -66.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -107.73 138.32 44.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -52.21 -48.42 65.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.58 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.467 ' H ' HD23 ' A' ' 8' ' ' LEU . 1.2 pt? -94.6 175.28 6.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.425 HG12 ' CA ' ' A' ' 91' ' ' GLY . 9.3 p -87.28 149.38 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.45 161.74 66.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.054 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -30.27 7.48 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.452 1.764 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.42 -24.72 61.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -91.42 -39.75 11.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.87 98.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.07 159.05 30.86 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 100.37 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.758 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.83 -89.0 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.445 1.09 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -108.45 132.2 54.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -93.52 27.72 2.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -125.45 129.59 24.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 137.92 22.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.767 . . . . 0.0 111.017 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.404 ' HE1' ' HA ' ' A' ' 81' ' ' THR . 0.0 OUTLIER -71.57 154.17 93.33 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.423 1.077 . . . . 0.0 110.966 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 125.11 9.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.634 HG21 ' CB ' ' A' ' 181' ' ' TYR . 11.1 t -123.13 138.97 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.05 159.56 3.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 m -80.1 -29.84 39.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.424 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.477 ' CB ' ' C ' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -142.89 143.13 31.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.365 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.552 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 14.9 t-80 -39.42 150.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.624 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.888 ' HB3' ' HG3' ' A' ' 188' ' ' GLN . . . -80.44 -33.45 36.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.891 HG11 ' CE2' ' A' ' 60' ' ' TRP . 53.8 t -84.52 -69.52 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -52.3 -39.84 61.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.38 19.54 76.38 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.424 1.077 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.477 ' C ' ' CB ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -121.46 162.12 21.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 109.639 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.458 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 1.2 t -41.42 145.96 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.954 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.47 -33.61 10.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.964 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 t -87.84 -35.2 17.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.458 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 1.2 t-20 -63.82 138.25 58.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.591 HG21 HD11 ' A' ' 44' ' ' ILE . 8.2 t -130.72 117.69 17.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 149.12 36.36 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.539 1.81 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.77 134.87 56.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.32 4.39 66.37 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.699 ' HE2' ' HB2' ' A' ' 66' ' ' TYR . 3.3 ttm -107.93 152.43 24.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.603 0.825 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 0.7 OUTLIER -140.23 161.28 38.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.173 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.762 HG12 HG22 ' A' ' 99' ' ' VAL . 3.6 mt -113.63 154.81 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -144.58 130.6 19.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.63 HD12 ' HB1' ' A' ' 176' ' ' ALA . 7.7 mt -101.22 127.23 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -141.94 147.66 37.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -134.7 126.37 28.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.517 ' HB2' HG11 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -135.05 175.56 9.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 110.981 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -42.39 -77.39 0.08 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.663 ' HB3' HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -71.39 -179.73 2.6 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.542 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -141.78 -48.99 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 111.051 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.793 ' CZ3' ' CE1' ' A' ' 189' ' ' TYR . 26.5 m0 -67.14 -42.38 84.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 107.993 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.19 -34.66 36.42 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.591 1.182 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.663 HG23 ' HB3' ' A' ' 51' ' ' CYS . 78.7 t -73.37 -50.14 32.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.554 0.797 . . . . 0.0 109.248 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 188' ' ' GLN . 1.5 tt0 -51.19 -55.41 18.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.214 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.03 -26.57 68.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.582 HD22 ' CG ' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -65.61 -23.51 66.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.524 ' O ' HG21 ' A' ' 65' ' ' VAL . 22.3 m-85 -81.35 -49.75 10.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.891 ' CE2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -69.17 -53.91 17.6 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.503 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 4.6 mm-40 -48.9 -22.5 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.739 HD23 HG23 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -76.73 141.4 68.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.05 115.15 4.2 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.797 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.443 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 128.44 -18.95 5.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.739 HG23 HD23 ' A' ' 62' ' ' LEU . 25.6 t -89.07 121.48 39.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 0.775 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.699 ' HB2' ' HE2' ' A' ' 42' ' ' MET . 3.0 t80 -75.51 -47.8 25.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.434 1.084 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.1 m -162.63 164.03 26.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.961 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.438 ' O ' ' NE2' ' A' ' 28' ' ' HIS . 35.1 p -146.7 140.62 26.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -120.0 141.66 49.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.786 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -103.2 140.48 37.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.793 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -168.79 -154.49 8.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -136.61 168.59 19.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 111.046 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 t -175.33 174.74 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.34 -19.52 39.16 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.435 1.084 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.516 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -86.38 -176.98 49.71 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -113.91 -21.49 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.429 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 9.0 m -74.95 117.43 62.62 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.396 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.17 31.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.471 1.774 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.428 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 89.4 m-20 48.56 64.04 9.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -75.0 160.73 39.81 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.467 1.772 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 85' ' ' VAL . 83.2 m -118.04 153.64 33.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -52.83 -40.37 63.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.9 mtm-85 -69.27 -45.03 70.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.68 -44.31 82.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.241 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 81' ' ' THR . 55.6 t -61.01 -40.93 87.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.7 t -61.53 -30.65 70.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.042 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.3 m -67.37 -39.2 85.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.062 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.52 8.33 61.1 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.431 1.082 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -88.09 5.7 39.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 0.766 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 p -106.17 -16.8 14.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.425 ' CA ' HG12 ' A' ' 9' ' ' VAL . . . 58.09 19.99 40.6 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.516 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 42.2 m-70 -91.4 156.56 17.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 0.734 . . . . 0.0 109.638 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -122.18 167.96 12.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.406 1.066 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -81.15 110.11 16.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.226 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -136.86 152.71 50.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.786 HG12 ' HA ' ' A' ' 70' ' ' ALA . 19.7 m -141.14 158.0 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.225 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.502 ' HG3' ' CG ' ' A' ' 179' ' ' PHE . 17.8 mtm180 -99.73 141.67 32.22 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.519 HG12 ' CG ' ' A' ' 59' ' ' PHE . 5.1 mp -126.94 116.0 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 109.246 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.762 HG22 HG12 ' A' ' 44' ' ' ILE . 20.8 t -105.72 107.13 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.434 ' CD2' HD11 ' A' ' 110' ' ' LEU . 41.9 p90 -126.91 -179.88 5.05 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.47 133.41 24.02 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 0.41 8.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.569 1.826 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.8 t -94.59 -24.07 17.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 18.3 t -104.8 -48.56 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.471 ' CD1' ' HG ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -132.07 136.11 57.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.454 ' O ' HD13 ' A' ' 105' ' ' ILE . 5.6 p -91.36 161.7 14.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.975 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.632 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 28.8 p90 -60.8 -38.45 85.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.632 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.3 OUTLIER -58.43 -39.99 81.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -59.82 -34.79 73.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.471 ' HG ' ' CD1' ' A' ' 105' ' ' ILE . 63.2 mt -65.64 -46.51 78.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.574 ' HB3' ' CZ2' ' A' ' 115' ' ' TRP . 2.1 mt -67.19 -34.54 77.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -56.78 -50.51 72.1 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 117' ' ' ASN . 0.3 OUTLIER -74.24 -33.52 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.428 ' HA ' ' HE3' ' A' ' 49' ' ' MET . 17.5 t80 -54.43 -53.18 57.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.574 ' CZ2' ' HB3' ' A' ' 111' ' ' LEU . 1.4 m0 -59.69 -25.82 65.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.128 . . . . 0.0 108.015 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.91 -30.01 28.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.582 ' CG ' HD22 ' A' ' 58' ' ' LEU . 13.7 t-20 -97.11 4.13 51.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.362 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.447 ' NE2' ' CB ' ' A' ' 136' ' ' SER . 6.3 t-160 -83.33 174.89 10.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.573 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -117.37 160.13 38.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.378 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 159.57 40.93 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -86.8 124.54 33.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -124.23 -2.23 8.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 74.54 0.11 57.37 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.63 145.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -85.04 121.39 27.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -108.14 178.85 4.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 127.0 -60.72 0.65 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.475 1.11 . . . . 0.0 110.966 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -173.79 -47.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 0.782 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -121.98 134.07 54.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -62.36 -37.17 84.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.661 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.488 ' HA3' ' CE2' ' A' ' 134' ' ' TYR . . . 39.87 81.32 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 11.8 p -84.65 -14.59 48.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 0.772 . . . . 0.0 110.323 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -50.12 -45.8 53.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 38.0 p90 -100.38 125.33 46.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.9 171.02 14.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.447 ' CB ' ' NE2' ' A' ' 118' ' ' HIS . 50.5 m -97.6 108.48 21.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.007 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -144.54 149.35 35.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.841 HG22 ' HD3' ' A' ' 140' ' ' PRO . 59.4 mt -112.46 131.27 64.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -129.42 76.19 79.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.841 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.3 Cg_endo -75.01 166.75 28.54 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.518 1.799 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.732 HD22 ' HB3' ' A' ' 176' ' ' ALA . 0.2 OUTLIER -110.21 -43.37 3.95 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.4 p -83.16 158.71 63.76 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -37.28 2.08 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -63.32 -33.6 75.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.342 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -70.02 -42.21 73.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.323 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -52.68 60.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -52.93 -51.08 62.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.49 96.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.96 -58.39 8.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 151' ' ' ALA . 25.7 ptt180 -63.6 -30.32 71.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 150' ' ' ARG . . . -60.07 -38.82 83.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.551 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 8.4 p -72.08 -32.99 67.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.541 ' C ' HD23 ' A' ' 153' ' ' LEU . 5.5 tt -62.26 -52.77 62.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -60.09 -45.77 91.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -50.89 69.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.353 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -64.27 -44.81 90.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.37 -41.95 88.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 110.25 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -60.18 -46.62 89.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.545 ' O ' ' HB3' ' A' ' 162' ' ' ALA . . . -65.91 -42.24 90.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 6.1 tmm? -60.56 -48.22 82.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -27.6 69.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 159' ' ' ALA . . . -61.73 -16.77 52.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -74.66 -7.85 54.53 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.0 t70 76.18 21.16 1.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.367 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -107.0 149.92 27.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.05 15.99 20.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -84.23 68.31 10.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 1.073 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -70.64 141.79 51.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.609 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.531 HG22 ' HB ' ' A' ' 171' ' ' THR . 2.0 mp -63.97 135.41 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 32.9 m -92.88 33.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.531 ' HB ' HG22 ' A' ' 169' ' ' ILE . 0.4 OUTLIER -85.33 131.63 34.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.383 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -121.39 139.31 53.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 20.1 mt -115.6 128.3 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.13 167.85 21.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -44.38 166.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.732 ' HB3' HD22 ' A' ' 141' ' ' LEU . . . -86.6 89.51 7.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 31.0 p -59.22 163.25 6.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.395 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 113.46 3.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.77 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.578 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.1 OUTLIER -76.72 142.84 40.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.607 1.192 . . . . 0.0 110.992 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 181' ' ' TYR . 5.1 m-85 -120.45 107.77 13.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.634 ' CB ' HG21 ' A' ' 24' ' ' VAL . 63.4 m-85 -36.45 150.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 111.045 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.793 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -113.96 174.07 6.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.401 ' HB2' ' CD2' ' A' ' 186' ' ' HIS . 11.8 mt-10 -44.45 130.49 6.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -51.83 -24.12 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.21 -38.86 82.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . 0.401 ' CD2' ' HB2' ' A' ' 183' ' ' GLU . 53.0 m-70 -74.3 -46.0 43.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 109.627 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 0.621 ' O ' ' HG2' ' A' ' 188' ' ' GLN . 8.2 mt-30 -48.89 129.93 17.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.888 ' HG3' ' HB3' ' A' ' 29' ' ' ALA . 0.3 OUTLIER 34.58 56.98 0.7 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.793 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 6.2 t80 -85.03 -27.55 26.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.25 -46.33 67.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.522 ' CG ' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -57.24 -28.9 63.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.573 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.7 -33.07 72.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.5 OUTLIER -133.78 100.45 13.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -20.37 16.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.533 1.807 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -92.8 13.79 19.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -121.39 50.96 0.81 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -71.31 141.58 50.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 0.775 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 23.6 p -97.59 105.44 17.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 108.308 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -45.33 128.79 8.53 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.553 1.158 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 21.0 mm -68.29 129.41 32.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.459 0.741 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 147.28 -43.41 0.85 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . 0.906 ' C ' HD13 ' A' ' 203' ' ' ILE . . . 143.13 48.16 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.906 HD13 ' C ' ' A' ' 202' ' ' GLY . 0.2 OUTLIER 40.32 -162.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.525 0.779 . . . . 0.0 109.338 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 155.59 55.93 0.01 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 26.3 t -142.48 -51.96 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 30.9 t -48.85 150.94 1.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 110.042 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 10.0 mt -98.99 151.15 37.26 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.381 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 209' ' ' PRO . 18.4 Cg_endo -75.01 150.29 37.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 111.036 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 208' ' ' PRO . 18.5 Cg_endo -74.96 -53.23 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.588 1.836 . . . . 0.0 110.988 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -109.27 157.87 18.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.388 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.087 . . . . 0.0 109.311 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.2 tp -79.95 -53.19 6.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -49.95 142.91 8.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.112 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.57 -39.87 92.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.34 102.19 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -61.26 132.27 53.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.459 ' HB3' ' CE ' ' A' ' 124' ' ' MET . 69.6 m-70 -113.99 72.0 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.66 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -178.39 -176.58 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.527 HG11 ' O ' ' A' ' 88' ' ' GLY . 5.4 p -82.83 144.54 9.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.64 167.91 26.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.912 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -25.35 11.96 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.432 1.754 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.93 -23.03 58.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.93 -30.75 14.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.264 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.88 88.54 7.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.2 mm? -87.62 157.77 52.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 124.47 8.61 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.533 1.807 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -104.88 -89.77 2.13 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.458 1.099 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.48 135.23 41.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.407 0.71 . . . . 0.0 110.268 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -118.45 42.97 2.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 m -99.05 120.23 58.9 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.373 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.495 ' N ' HD22 ' A' ' 79' ' ' ASN . 18.2 Cg_endo -75.04 131.21 13.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.402 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 0.5 OUTLIER -83.0 144.1 46.99 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 22' ' ' MET . 18.4 Cg_endo -74.96 139.22 24.14 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.522 1.801 . . . . 0.0 111.056 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 181' ' ' TYR . 43.0 t -130.64 130.88 64.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.26 165.42 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.543 1.152 . . . . 0.0 109.233 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.928 ' C ' HD13 ' A' ' 27' ' ' LEU . 35.3 m -88.5 -42.7 11.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.442 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.928 HD13 ' C ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -112.79 159.15 19.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.564 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 18.6 t-80 -69.11 158.56 34.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.638 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.34 -27.8 27.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.239 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.674 HG22 ' CD2' ' A' ' 191' ' ' HIS . 58.4 t -94.83 -66.4 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 4.0 t-20 -55.76 -40.08 72.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.9 15.41 79.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 34' ' ' SER . 5.5 t60 -128.13 169.18 14.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.655 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.588 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 0.5 OUTLIER -53.9 131.67 40.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.008 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -99.34 -17.1 18.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.44 HG23 ' N ' ' A' ' 37' ' ' ASN . 15.0 t -88.09 -50.63 6.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.405 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.44 ' N ' HG23 ' A' ' 36' ' ' THR . 19.4 t-20 -54.64 140.97 33.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.916 HG21 HD11 ' A' ' 44' ' ' ILE . 16.5 t -126.35 109.69 23.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.224 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.14 148.06 34.25 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.465 1.771 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -57.55 133.54 55.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.405 ' O ' ' OD1' ' A' ' 101' ' ' ASP . . . 99.47 -4.52 58.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.412 1.07 . . . . 0.0 111.049 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.548 ' HE2' ' HB2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -102.49 164.33 11.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 0.743 . . . . 0.0 111.02 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -140.91 159.11 42.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.916 HD11 HG21 ' A' ' 38' ' ' VAL . 2.7 mp -115.53 148.41 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -140.7 134.23 30.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.39 1.056 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.814 HG21 ' CE2' ' A' ' 179' ' ' PHE . 91.2 mt -114.43 134.24 58.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.541 ' CD2' ' CZ ' ' A' ' 59' ' ' PHE . 62.3 m-85 -145.08 165.18 28.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 111.023 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.484 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -148.32 125.88 11.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.716 ' HB2' HG11 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -133.26 165.56 24.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -38.82 -70.75 0.28 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.634 ' CB ' HG23 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -60.7 179.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -136.85 -53.49 0.71 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.408 ' HB3' HD23 ' A' ' 190' ' ' LEU . 25.3 m0 -82.14 -36.23 27.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 107.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -69.1 -41.14 82.04 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.57 1.169 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.716 HG11 ' HB2' ' A' ' 49' ' ' MET . 59.8 t -69.66 -61.82 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.453 0.737 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.498 ' HG3' ' CZ3' ' A' ' 60' ' ' TRP . 8.1 pt-20 -49.63 -40.25 38.76 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.526 ' HA ' ' CD2' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -65.08 -33.7 76.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.645 HD23 ' HA ' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -76.76 -20.73 56.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.39 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.541 ' CZ ' ' CD2' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -76.49 -51.44 11.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.526 ' CD2' ' HA ' ' A' ' 57' ' ' ARG . 0.8 OUTLIER -72.16 -11.79 60.89 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.46 -7.44 57.65 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.09 HD11 HG21 ' A' ' 113' ' ' VAL . 0.8 OUTLIER -81.56 137.37 48.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.648 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.4 Cg_endo -74.93 108.2 2.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.56 -9.1 5.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 111.055 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.4 HG13 HG23 ' A' ' 98' ' ' ILE . 54.2 t -86.73 121.93 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.572 0.807 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.548 ' HB2' ' HE2' ' A' ' 42' ' ' MET . 0.7 OUTLIER -75.82 -54.7 6.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.949 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 m -157.72 161.24 38.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.417 HG22 ' HA ' ' A' ' 98' ' ' ILE . 64.1 p -140.45 149.41 42.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 110.463 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.424 ' HB1' ' CE2' ' A' ' 181' ' ' TYR . . . -137.47 123.51 20.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.421 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -82.59 140.02 33.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -160.01 -174.84 30.29 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -118.52 154.66 32.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.753 . . . . 0.0 111.04 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.888 HG21 ' CZ ' ' A' ' 179' ' ' PHE . 11.5 t -151.2 166.88 29.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.463 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.21 -43.42 2.93 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 110.933 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.498 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -56.19 161.67 6.62 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -103.87 -20.63 13.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 0.773 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 3.5 m -84.08 128.4 62.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.377 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.3 Cg_endo -75.04 166.29 29.46 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.561 1.821 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.495 HD22 ' N ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER 40.28 66.2 3.46 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.56 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 18.5 Cg_endo -74.95 146.23 32.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.557 1.82 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.905 ' O ' HG23 ' A' ' 85' ' ' VAL . 90.0 m -114.04 162.62 16.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -62.57 -39.56 94.07 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -41.04 68.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 110.31 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -66.82 -44.3 81.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.257 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 81' ' ' THR . 57.3 t -66.83 -41.29 87.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.1 t -59.67 -27.81 66.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.085 . . . . 0.0 109.952 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.3 t -71.59 -39.06 70.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.527 ' O ' HG11 ' A' ' 9' ' ' VAL . . . 87.38 14.75 63.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.049 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -86.12 -2.68 58.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.391 0.701 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.5 p -108.91 -24.53 11.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 74.65 6.81 78.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 111.038 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.56 ' CD2' ' HB3' ' A' ' 80' ' ' PRO . 23.0 m-70 -60.29 149.06 34.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 0.747 . . . . 0.0 109.633 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -120.56 152.57 37.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.363 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.484 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 13.5 pt-20 -69.96 136.71 50.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.523 ' HB1' ' HE2' ' A' ' 179' ' ' PHE . . . -157.91 163.99 37.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.462 HG11 ' HB3' ' A' ' 56' ' ' GLU . 19.1 m -149.87 139.62 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.152 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -93.05 144.34 25.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 110.218 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.524 HG12 ' CD1' ' A' ' 59' ' ' PHE . 5.4 mp -134.48 120.59 33.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.735 HG22 ' CG1' ' A' ' 44' ' ' ILE . 91.2 t -109.62 103.82 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.737 ' CD1' HG23 ' A' ' 105' ' ' ILE . 30.0 p90 -124.22 179.49 4.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 41' ' ' GLY . 0.1 OUTLIER -110.64 138.0 20.9 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.443 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.0 Cg_endo -75.06 1.16 8.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.34 -25.99 16.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.1 t -101.97 -50.24 10.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.737 HG23 ' CD1' ' A' ' 100' ' ' TYR . 3.7 tp -123.14 143.72 35.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.1 p -112.63 162.84 15.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.637 ' HE2' ' HB2' ' A' ' 148' ' ' ALA . 29.3 p90 -57.11 -37.38 71.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.115 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.461 ' N ' ' CG ' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -62.88 -42.07 99.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 110.221 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.594 ' O ' HG23 ' A' ' 113' ' ' VAL . 78.3 mt-30 -64.81 -44.68 89.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.702 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 16.8 mt -68.11 -41.22 82.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.57 ' HB3' ' CZ2' ' A' ' 115' ' ' TRP . 1.5 mm? -63.42 -36.65 84.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -65.54 -43.11 90.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 1.09 HG21 HD11 ' A' ' 62' ' ' LEU . 75.4 t -59.13 -38.7 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 118' ' ' HIS . 3.2 t80 -62.09 -47.41 84.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.57 ' CZ2' ' HB3' ' A' ' 111' ' ' LEU . 3.9 m0 -66.05 -17.24 64.56 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -86.29 -38.26 17.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.625 ' CG ' HD22 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -96.75 5.33 50.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 114' ' ' PHE . 0.5 OUTLIER -61.52 145.43 51.93 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.478 1.111 . . . . 0.0 109.627 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -104.13 162.64 19.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.241 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 152.67 41.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.452 ' HB1' ' O ' ' A' ' 168' ' ' HIS . . . -90.29 140.39 29.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -136.69 31.23 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 48.41 93.89 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.563 1.164 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.459 ' CE ' ' HB3' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -43.4 104.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 110.969 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.29 165.31 12.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.62 152.35 39.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 123.73 -71.56 0.43 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 130' ' ' HIS . 3.0 m120 -80.69 87.84 5.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.55 92.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 128' ' ' ASN . 77.2 m-70 -152.6 70.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.572 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 115.84 30.41 2.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 9.0 m -75.01 -56.64 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 0.0 110.354 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -80.36 -16.18 55.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.276 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -96.28 91.74 6.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.947 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -129.88 172.79 11.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.599 1.187 . . . . 0.0 110.288 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 30.4 p -106.78 132.62 52.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.028 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.405 ' H ' ' HB3' ' A' ' 48' ' ' ALA . . . -152.86 152.96 32.14 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.561 HG22 ' HD3' ' A' ' 140' ' ' PRO . 4.6 mt -111.63 133.17 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.451 ' HB2' HG22 ' A' ' 46' ' ' ILE . 89.2 m-85 -130.14 75.72 78.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.561 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.1 Cg_endo -75.01 156.41 42.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 110.944 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.409 HD13 ' HB3' ' A' ' 176' ' ' ALA . 24.4 tp -110.33 -34.64 6.29 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.488 1.118 . . . . 0.0 109.384 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.401 ' OG1' ' CD ' ' A' ' 145' ' ' GLN . 21.8 p -91.86 162.68 30.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 0.0 110.384 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -34.62 3.63 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.532 1.807 . . . . 0.0 110.964 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.91 -38.77 92.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.401 ' CD ' ' OG1' ' A' ' 142' ' ' THR . 47.1 mt-30 -67.0 -45.08 78.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.74 -46.65 89.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.172 . . . . 0.0 109.34 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -53.06 -50.19 64.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.637 ' HB2' ' HE2' ' A' ' 107' ' ' TYR . . . -68.72 -44.22 74.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.85 -59.23 5.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.28 -38.02 87.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.342 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -62.65 -47.49 83.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.497 ' HB2' ' CE2' ' A' ' 115' ' ' TRP . 1.9 p -63.99 -47.48 80.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.03 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.62 ' O ' HD23 ' A' ' 153' ' ' LEU . 4.2 tt -52.92 -50.86 63.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.53 -43.07 95.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 159' ' ' ALA . 0.0 OUTLIER -58.63 -51.94 67.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -63.64 -41.48 98.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -61.93 -51.68 67.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.18 -48.18 62.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.518 ' O ' ' HB3' ' A' ' 162' ' ' ALA . . . -51.75 -49.84 61.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.386 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 33.1 ttp -61.98 -48.2 81.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.963 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -24.9 63.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 159' ' ' ALA . . . -71.22 -21.42 62.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -85.4 7.2 23.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.17 35.41 10.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -111.02 132.19 54.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.65 63.53 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.456 1.097 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . 0.418 ' HB3' ' HB3' ' A' ' 121' ' ' ALA . 0.1 OUTLIER -126.3 77.63 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 110.288 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.452 ' O ' ' HB1' ' A' ' 121' ' ' ALA . 31.7 m170 -54.6 139.47 38.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 109.614 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.5 mt -82.58 149.3 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 88.2 m -94.65 35.87 1.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.448 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.6 m -96.78 123.12 40.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 110.42 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.99 124.46 42.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 9.8 mt -97.39 120.92 47.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -137.8 169.23 18.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -53.2 155.1 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.409 ' HB3' HD13 ' A' ' 141' ' ' LEU . . . -87.59 82.97 7.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . 0.428 ' HB ' ' HD2' ' A' ' 178' ' ' PRO . 69.0 p -76.85 163.71 63.83 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . 0.428 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.3 Cg_endo -74.96 103.06 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.44 1.758 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.888 ' CZ ' HG21 ' A' ' 73' ' ' THR . 7.3 m-30 -76.49 145.84 38.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.596 1.185 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 181' ' ' TYR . 19.2 m-85 -89.63 114.68 26.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.564 ' HB3' HG21 ' A' ' 24' ' ' VAL . 30.9 m-85 -37.22 155.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -104.82 174.22 5.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.12 142.04 7.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.262 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -53.18 -28.46 26.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -45.12 93.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -62.71 -46.03 90.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.617 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -51.83 98.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.328 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.564 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 5.7 mp0 62.78 60.8 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.253 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.452 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 15.2 t80 -84.19 -25.4 29.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 111.022 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.408 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -70.78 -44.13 67.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.674 ' CD2' HG22 ' A' ' 30' ' ' VAL . 0.2 OUTLIER -58.34 -38.29 76.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.608 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -36.95 77.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.9 OUTLIER -139.02 106.41 7.37 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -9.5 20.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -97.92 30.23 3.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -116.91 45.33 1.3 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.156 . . . . 0.0 111.004 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . 0.439 ' O ' ' CG ' ' A' ' 197' ' ' TYR . 9.0 p90 -60.39 131.23 50.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -107.56 145.49 33.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 108.287 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -67.96 107.95 2.26 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 66.4 mt -106.68 -68.36 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.756 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 86.01 72.37 1.29 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.583 1.177 . . . . 0.0 111.051 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -173.99 -45.79 0.05 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.698 HD13 ' N ' ' A' ' 204' ' ' GLY . 0.0 OUTLIER -41.58 135.59 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.269 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . 0.698 ' N ' HD13 ' A' ' 203' ' ' ILE . . . -156.37 -50.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . 0.408 HG22 ' H ' ' A' ' 205' ' ' VAL . 1.2 m -52.88 -41.57 40.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.478 0.752 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.57 180.0 7.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.974 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 207' ' ' LEU . 3.9 mm? -71.36 115.87 41.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 169.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.554 1.818 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 165.41 31.3 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 110.955 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.16 -63.86 0.51 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 110.26 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.358 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.451 -0.375 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.93 57.36 2.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -135.87 171.37 14.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 111.055 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -146.55 122.97 11.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.34 170.0 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.613 1.195 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.17 147.72 7.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 7' ' ' HIS . 26.0 p80 -82.12 110.45 17.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.533 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.63 -166.73 1.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.6 p -50.18 144.79 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m -65.79 157.24 80.51 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.432 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.09 -26.44 10.77 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.01 -29.88 71.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.21 -38.52 11.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.432 ' HB3' ' HA ' ' A' ' 11' ' ' PRO . . . -64.84 178.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.492 HD22 ' HG3' ' A' ' 84' ' ' GLU . 0.6 OUTLIER -99.91 155.39 36.51 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' GLY . 18.0 Cg_endo -75.09 108.28 2.68 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.473 1.775 . . . . 0.0 110.926 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . -37.19 120.81 0.75 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -89.86 166.49 13.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 0.0 110.28 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.01 26.77 8.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.8 m -101.31 107.61 51.43 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.437 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 136.73 20.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 111.057 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 47.7 tpp -70.3 132.38 87.94 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 128.92 11.89 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.732 HG21 ' HB3' ' A' ' 181' ' ' TYR . 25.1 t -136.47 144.1 33.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.02 152.67 38.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.748 HG22 HD13 ' A' ' 27' ' ' LEU . 1.8 m -78.09 -40.89 36.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.748 HD13 HG22 ' A' ' 26' ' ' THR . 0.1 OUTLIER -107.88 139.29 42.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 109.265 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.527 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 18.0 t-80 -52.65 154.51 2.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.642 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.5 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -82.26 -27.76 32.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 1.076 HG11 ' CE2' ' A' ' 60' ' ' TRP . 77.0 t -95.16 -66.54 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -54.82 -36.81 65.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.1 19.71 79.76 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.546 1.153 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.511 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.8 t60 -127.97 164.99 21.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 109.549 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.511 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -43.41 144.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.997 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.8 mtp -97.57 -64.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 111.055 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.42 HG23 ' H ' ' A' ' 36' ' ' THR . 46.1 p -53.67 -50.53 65.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.354 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -56.15 127.13 29.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.431 HG22 HG11 ' A' ' 99' ' ' VAL . 36.9 t -125.72 129.88 24.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 38' ' ' VAL . 18.2 Cg_endo -75.01 142.88 28.34 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.516 1.798 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.12 129.0 29.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.55 -9.51 32.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.443 1.089 . . . . 0.0 111.038 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.454 ' HE1' ' HB2' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -104.66 155.09 19.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 111.053 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -134.12 159.6 40.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.809 ' CG1' HG22 ' A' ' 99' ' ' VAL . 3.8 mt -106.02 147.03 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -138.95 132.17 29.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.554 HG22 ' CD2' ' A' ' 139' ' ' TYR . 6.9 mt -111.47 137.01 45.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -150.57 161.51 42.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.617 ' HB3' ' H ' ' A' ' 137' ' ' ALA . . . -129.65 117.98 21.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.375 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.793 ' HB3' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -121.21 177.02 5.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -55.36 -77.36 0.15 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.3 m -65.01 178.83 0.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.558 ' CE2' ' HB1' ' A' ' 70' ' ' ALA . 3.3 t80 -126.18 -49.19 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.518 ' CG ' ' HB3' ' A' ' 189' ' ' TYR . 12.1 m0 -83.22 -38.24 22.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 107.95 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.72 -47.77 86.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.128 . . . . 0.0 111.059 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.793 HG11 ' HB3' ' A' ' 49' ' ' MET . 32.0 m -70.65 -53.81 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.276 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.547 ' N ' HG23 ' A' ' 55' ' ' VAL . 1.8 tt0 -49.33 -53.91 19.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -64.33 -27.89 69.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.233 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -41.64 75.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.597 ' O ' HG21 ' A' ' 65' ' ' VAL . 6.6 m-85 -57.76 -49.95 74.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 1.076 ' CE2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -68.29 -54.87 14.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 108.083 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.521 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 1.6 mm100 -48.91 -22.49 0.85 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.107 HD11 HG11 ' A' ' 113' ' ' VAL . 10.4 mt -76.05 142.22 72.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 113.03 3.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.443 1.759 . . . . 0.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.83 -21.76 4.4 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.487 1.117 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.597 HG21 ' O ' ' A' ' 59' ' ' PHE . 70.7 t -88.27 125.75 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.571 0.806 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.454 ' HB2' ' HE1' ' A' ' 42' ' ' MET . 2.8 t80 -81.22 -56.99 3.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.9 p -148.57 160.05 43.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.096 . . . . 0.0 110.05 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 20.4 p -141.22 167.73 21.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.355 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.657 ' HB3' ' HG2' ' A' ' 97' ' ' ARG . . . -153.14 142.91 22.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.669 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -97.79 139.85 33.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.077 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.723 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -168.3 -159.26 13.55 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.401 ' HA ' ' O ' ' A' ' 93' ' ' ALA . 5.1 m-85 -147.43 168.99 20.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 111.006 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.0 t -172.53 166.55 5.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.474 1.109 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.47 -12.49 67.74 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.428 1.08 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.505 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -77.16 172.13 55.13 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 76' ' ' TYR . 0.6 OUTLIER -106.76 -29.16 9.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 0.807 . . . . 0.0 111.031 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.5 m -79.28 127.7 78.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.441 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -75.0 166.34 29.4 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.575 1.829 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.402 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 54.8 m-80 40.44 64.6 4.6 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.538 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 18.5 Cg_endo -74.94 147.27 33.96 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.519 1.799 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.9 m -116.33 155.62 28.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.464 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -56.2 -48.14 76.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -38.84 84.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.594 1.184 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.492 ' HG3' HD22 ' A' ' 15' ' ' LEU . 1.6 tt0 -68.04 -45.11 74.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.246 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.1 t -59.78 -38.82 77.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.263 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.437 ' O ' ' NE2' ' A' ' 133' ' ' GLN . 22.8 t -54.34 -21.29 9.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.049 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 21.9 m -64.64 -40.11 94.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 82.66 1.12 90.5 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.454 1.096 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -97.17 17.55 16.94 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.583 0.814 . . . . 0.0 109.339 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.428 ' CG2' ' OE2' ' A' ' 84' ' ' GLU . 6.1 p -108.59 -14.1 14.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 71.19 5.9 59.9 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.538 ' CD2' ' HB3' ' A' ' 80' ' ' PRO . 53.4 m-70 -73.04 151.58 41.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 0.799 . . . . 0.0 109.58 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 72' ' ' TYR . . . -126.57 154.98 43.16 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.536 1.147 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -74.35 112.36 10.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.65 153.93 51.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.669 HG12 ' HA ' ' A' ' 70' ' ' ALA . 15.9 m -142.99 141.78 26.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.657 ' HG2' ' HB3' ' A' ' 69' ' ' ALA . 0.7 OUTLIER -93.16 128.97 39.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.537 HG12 ' CG ' ' A' ' 59' ' ' PHE . 3.0 mp -117.03 129.82 72.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.809 HG22 ' CG1' ' A' ' 44' ' ' ILE . 87.9 t -114.36 99.96 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.252 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.693 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 8.0 p90 -123.15 175.15 6.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.55 133.5 20.15 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.196 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.02 9.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.802 . . . . 0.0 111.009 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.26 -19.46 17.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.0 t -103.67 -49.37 9.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.8 tt -121.84 155.14 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.2 p -114.83 148.41 38.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.083 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.523 ' CE1' ' HG3' ' A' ' 108' ' ' GLU . 51.5 p90 -50.31 -29.51 9.93 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.479 1.112 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.523 ' HG3' ' CE1' ' A' ' 107' ' ' TYR . 0.5 OUTLIER -72.73 -31.61 65.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -40.36 85.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.693 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 8.3 mt -69.62 -41.8 75.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.249 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.24 -38.29 90.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.51 -54.2 26.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 1.107 HG11 HD11 ' A' ' 62' ' ' LEU . 21.7 t -63.01 -44.91 99.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.596 1.185 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.505 ' CE1' ' HG3' ' A' ' 49' ' ' MET . 32.4 t80 -51.63 -53.16 41.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.673 ' HH2' HG21 ' A' ' 171' ' ' THR . 42.4 m95 -67.19 -24.78 65.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 107.981 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -70.62 -32.15 69.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -103.9 4.35 34.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.59 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 26.1 t-80 -72.37 160.53 32.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.613 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.59 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 7.3 m-20 -99.16 144.91 29.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 160.33 40.12 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 167' ' ' ARG . . . -84.76 124.91 32.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.332 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.31 34.68 3.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 125' ' ' ARG . . . 82.86 24.6 52.43 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.115 . . . . 0.0 110.995 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 5.4 ppp? -37.77 -31.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.757 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 123' ' ' GLY . 0.4 OUTLIER -98.11 120.11 37.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -128.36 172.16 11.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -39.57 -63.71 1.14 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.451 1.095 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -128.49 93.96 3.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 0.804 . . . . 0.0 109.28 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -75.54 171.98 13.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -157.04 60.1 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.598 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 155.54 43.51 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 111.054 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 133' ' ' GLN . 45.7 m -80.68 -0.63 39.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 110.459 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 86' ' ' SER . 6.4 mt-30 -39.0 -54.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 32.5 p90 -86.17 125.13 33.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.3 173.63 11.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 171' ' ' THR . 14.2 p -111.06 98.57 7.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.079 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.617 ' H ' ' HB3' ' A' ' 48' ' ' ALA . . . -129.16 162.6 27.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.58 HG22 ' HD3' ' A' ' 140' ' ' PRO . 4.4 mt -125.47 126.98 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.364 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.554 ' CD2' HG22 ' A' ' 46' ' ' ILE . 80.9 m-85 -122.72 77.59 48.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.829 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.3 Cg_endo -75.04 162.74 36.54 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.521 1.801 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.522 HD22 ' HB3' ' A' ' 176' ' ' ALA . 0.2 OUTLIER -114.66 -10.11 12.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.47 HG23 ' CG ' ' A' ' 145' ' ' GLN . 0.3 OUTLIER -120.58 151.84 54.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.456 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 142' ' ' THR . 18.4 Cg_endo -74.96 -37.86 1.86 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.25 -48.75 78.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.356 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.47 ' CG ' HG23 ' A' ' 142' ' ' THR . 1.9 pt20 -69.82 -31.55 69.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.259 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.18 -44.97 92.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -69.88 -36.93 75.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -68.6 -43.98 75.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.03 -59.08 5.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.89 -32.34 70.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -62.25 -43.89 97.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 109.238 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.7 p -75.57 -42.03 53.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.95 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.762 ' C ' HD23 ' A' ' 153' ' ' LEU . 0.6 OUTLIER -57.31 -51.37 69.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.689 ' N ' HD23 ' A' ' 153' ' ' LEU . 35.5 tp10 -60.7 -41.66 95.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -65.2 -43.03 92.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 115' ' ' TRP . 0.8 OUTLIER -60.41 -39.78 88.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 160' ' ' MET . 6.2 tt0 -65.32 -47.49 76.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.16 -30.97 67.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.79 77.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.524 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 9.9 ptm -67.92 -31.82 71.85 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.117 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.521 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -61.07 -38.6 86.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.66 -17.03 62.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 160' ' ' MET . . . -83.57 -0.93 52.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 5.5 t0 77.25 31.28 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -106.63 133.1 51.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.51 -11.19 27.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . 0.488 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 26.4 mmt-85 -72.6 69.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.238 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -65.71 145.73 55.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.103 . . . . 0.0 109.628 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.703 HD12 HG22 ' A' ' 171' ' ' THR . 2.1 pt -64.02 140.49 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 10.2 t -108.21 27.54 9.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.703 HG22 HD12 ' A' ' 169' ' ' ILE . 1.9 t -80.62 136.81 36.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.444 1.09 . . . . 0.0 110.37 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -120.04 139.26 52.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.575 HD11 HD13 ' A' ' 153' ' ' LEU . 15.8 mt -106.97 121.75 60.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -136.93 161.74 35.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.356 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -41.22 159.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.829 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -73.43 86.19 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 58.0 p -59.26 161.73 9.31 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 108.91 2.82 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.6 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.1 OUTLIER -76.84 145.08 38.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.32 112.77 19.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.732 ' HB3' HG21 ' A' ' 24' ' ' VAL . 43.5 m-85 -40.39 158.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.723 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -122.38 175.09 6.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -39.01 132.06 1.33 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.57 -24.13 19.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.78 -45.29 94.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -63.81 -38.79 92.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.588 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 0.598 ' OE1' ' HB3' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -53.88 109.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.52 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 10.0 mp0 54.82 56.82 6.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.518 ' HB3' ' CG ' ' A' ' 53' ' ' TRP . 9.0 t80 -84.04 -30.24 26.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.946 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.657 HD21 ' O ' ' A' ' 196' ' ' GLY . 0.1 OUTLIER -73.74 -46.38 46.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.249 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.83 ' ND1' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -60.35 -32.72 71.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.574 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.43 -47.78 82.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.265 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.1 OUTLIER -122.57 109.05 32.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.0 9.43 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -93.15 -9.74 38.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . 0.657 ' O ' HD21 ' A' ' 190' ' ' LEU . . . -87.48 75.72 2.1 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -76.98 110.25 11.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 0.739 . . . . 0.0 111.032 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 30.8 t -57.58 160.07 4.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 108.338 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -97.65 76.21 0.63 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 10.9 mt -87.58 -58.17 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 109.274 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -71.26 97.88 0.7 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 126.19 -159.73 20.56 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 2.2 pp -108.4 166.47 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.757 . . . . 0.0 109.281 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -73.34 -93.29 0.11 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.37 125.62 43.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 0.781 . . . . 0.0 109.341 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 27.0 p -106.37 -24.47 12.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.957 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 27.6 mt -98.11 151.48 37.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 157.25 42.8 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 108.59 2.75 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.531 1.806 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.97 -60.02 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.45 1.094 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.433 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.5 OUTLIER -80.04 54.97 2.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -159.88 -172.06 3.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.984 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -116.97 78.5 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -114.72 134.04 55.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.257 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.85 120.54 42.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.352 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.2 145.05 36.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.581 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.4 tp -149.9 136.36 19.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.633 HG11 ' C ' ' A' ' 89' ' ' ASP . 9.9 p -94.57 153.9 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.57 171.65 11.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.012 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -42.47 0.5 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.47 1.774 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.21 -25.16 63.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.42 -39.38 20.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.56 1.163 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.66 113.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.2 mt -100.33 157.02 34.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 99.68 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.472 1.775 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.416 ' O ' ' NE ' ' A' ' 18' ' ' ARG . . . -58.61 -82.68 0.06 OUTLIER Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.5 1.125 . . . . 0.0 110.944 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.416 ' NE ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -134.14 166.53 22.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 0.793 . . . . 0.0 110.33 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -119.85 35.21 4.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.0 m -102.33 110.18 62.12 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.603 1.189 . . . . 0.0 110.41 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 137.9 22.26 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.512 1.796 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.4 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 29.1 mtt -76.2 146.5 78.38 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 22' ' ' MET . 18.6 Cg_endo -74.98 130.03 12.91 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.446 1.761 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.416 HG21 ' CG ' ' A' ' 181' ' ' TYR . 26.6 t -113.46 132.99 60.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.51 167.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.7 m -83.28 -37.56 23.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.158 . . . . 0.0 110.398 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.475 ' CB ' ' C ' ' A' ' 33' ' ' HIS . 0.5 OUTLIER -129.88 161.71 30.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.479 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 10.8 t-80 -58.75 160.48 5.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.677 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.889 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -85.46 -34.02 21.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.479 ' HB ' ' CE1' ' A' ' 28' ' ' HIS . 44.2 t -87.61 -67.51 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.16 -38.64 65.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.77 32.04 61.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.475 ' C ' ' CB ' ' A' ' 27' ' ' LEU . 20.5 t60 -135.84 158.49 44.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 0.794 . . . . 0.0 109.627 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.1 p -39.44 143.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 110.013 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -97.99 -62.81 1.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.7 t -49.88 -44.63 50.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.447 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -54.46 134.95 46.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.376 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.497 HG22 HG11 ' A' ' 99' ' ' VAL . 2.6 t -137.93 116.08 9.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.404 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.2 Cg_endo -74.97 139.6 24.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.528 1.804 . . . . 0.0 111.056 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.65 131.79 30.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.35 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 108.63 -4.88 32.73 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.474 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -106.91 165.26 11.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 0.807 . . . . 0.0 110.98 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -145.29 165.66 27.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 110.272 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.619 HG12 HG22 ' A' ' 99' ' ' VAL . 3.3 mt -109.31 155.44 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -146.67 138.55 24.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.638 HD12 ' HB1' ' A' ' 176' ' ' ALA . 12.0 mt -117.03 146.67 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.241 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.544 ' CD2' ' CE2' ' A' ' 114' ' ' PHE . 33.8 m-85 -155.06 155.94 34.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.462 ' HB2' ' HE2' ' A' ' 139' ' ' TYR . . . -131.13 116.3 17.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.803 ' HB3' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -126.17 149.94 48.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.971 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -37.83 -42.92 1.16 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.579 1.175 . . . . 0.0 110.979 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.5 m -105.16 179.76 4.18 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 2.4 p90 -146.79 -44.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 111.062 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 22.4 m0 -64.72 -46.05 83.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 0.0 107.954 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.97 -41.89 17.47 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.568 1.167 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.803 HG21 ' HB3' ' A' ' 49' ' ' MET . 83.2 t -63.18 -59.1 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 0.736 . . . . 0.0 109.256 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 20.0 tt0 -53.87 -35.06 61.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.535 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 34.5 ttp85 -65.57 -39.56 91.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.366 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.601 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -75.99 -20.94 57.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.722 ' CE2' HD13 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -77.44 -53.56 7.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.836 ' HA ' HG11 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -69.62 -12.7 61.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 107.983 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -85.77 -8.83 57.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 110.226 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.763 HD21 HG21 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -82.5 144.08 48.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.356 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.453 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.4 Cg_endo -75.03 113.17 3.73 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.0 -13.73 5.75 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.836 HG11 ' HA ' ' A' ' 60' ' ' TRP . 20.3 t -78.88 110.68 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.474 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 3.9 t80 -78.87 -51.91 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.971 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -140.23 146.81 39.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.46 156.14 42.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 110.435 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -159.05 158.19 32.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.607 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -125.92 134.88 51.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -153.47 -164.92 13.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.422 1.076 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -137.3 160.23 39.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 0.779 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.0 t -169.36 172.21 7.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.358 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.68 -19.24 55.51 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.488 1.118 . . . . 0.0 111.035 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.24 -178.93 49.71 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 76' ' ' TYR . 13.8 t80 -112.53 -19.1 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.401 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 21.6 m -74.99 117.84 65.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.415 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 150.22 37.53 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.451 1.764 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.428 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 27.9 m-20 42.67 64.0 6.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.452 ' HB2' ' CG2' ' A' ' 85' ' ' VAL . 18.4 Cg_endo -74.92 151.93 40.53 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.526 1.803 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 86.6 m -111.41 153.33 26.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.449 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -52.62 -39.66 61.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -69.05 -39.68 79.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.321 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -72.75 -44.73 61.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.452 ' CG2' ' HB2' ' A' ' 80' ' ' PRO . 50.6 t -61.77 -38.33 80.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.5 t -69.44 -25.85 64.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.592 1.182 . . . . 0.0 110.028 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.67 -33.97 71.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.954 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.46 14.5 61.67 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.633 ' C ' HG11 ' A' ' 9' ' ' VAL . 11.5 m-20 -99.03 16.25 23.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 0.756 . . . . 0.0 109.361 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.3 p -112.67 -25.0 9.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 110.331 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.69 16.83 68.39 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.401 ' NE2' ' O ' ' A' ' 77' ' ' THR . 28.6 m-70 -84.51 166.11 17.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 0.739 . . . . 0.0 109.591 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -125.61 167.71 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -85.37 124.69 32.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 110.355 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -145.81 164.27 32.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.607 HG12 ' HA ' ' A' ' 70' ' ' ALA . 1.7 m -144.42 146.22 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.654 ' HD3' HG23 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -101.35 136.74 40.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.722 HD13 ' CE2' ' A' ' 59' ' ' PHE . 4.7 mp -130.83 134.34 61.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.654 HG23 ' HD3' ' A' ' 97' ' ' ARG . 59.1 t -120.51 100.08 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -123.14 179.97 4.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.39 132.68 22.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.345 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.1 Cg_endo -75.04 -0.46 10.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.778 . . . . 0.0 111.028 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.15 -23.75 16.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.2 t -103.63 -37.93 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.635 HD13 ' N ' ' A' ' 106' ' ' SER . 0.2 OUTLIER -138.29 131.7 41.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.635 ' N ' HD13 ' A' ' 105' ' ' ILE . 3.9 p -92.98 154.28 18.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.021 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.482 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 10.4 p90 -62.89 -31.66 72.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.482 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 1.5 tt0 -59.1 -48.01 83.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.239 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.414 ' HB2' HD11 ' A' ' 105' ' ' ILE . 50.9 mt-30 -58.92 -41.25 86.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.249 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.541 ' HG ' HD12 ' A' ' 105' ' ' ILE . 46.5 mt -59.19 -46.95 87.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 87.8 mt -58.23 -40.43 81.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -41.86 84.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.15 . . . . 0.0 110.24 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.763 HG21 HD21 ' A' ' 62' ' ' LEU . 2.2 t -65.3 -53.35 41.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.605 ' CE2' ' SD ' ' A' ' 49' ' ' MET . 1.5 m-85 -56.15 -38.12 70.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.496 ' CH2' ' HB2' ' A' ' 156' ' ' PHE . 3.3 m95 -59.88 -29.54 68.39 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -86.79 -35.45 19.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.547 ' ND2' ' CD2' ' A' ' 58' ' ' LEU . 18.7 t-20 -87.43 5.79 37.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 115' ' ' TRP . 0.2 OUTLIER -69.42 155.98 39.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.637 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -105.05 158.48 31.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 160.18 40.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.518 1.799 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.679 ' HB2' HG22 ' A' ' 169' ' ' ILE . . . -84.65 130.07 34.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.357 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -106.23 -25.92 11.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.24 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 124' ' ' MET . . . 94.29 30.21 8.91 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 123' ' ' GLY . 11.2 ttp -36.91 116.81 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 0.79 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.02 130.98 2.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -126.39 177.86 6.2 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -83.38 -35.99 15.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -104.23 -64.5 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -157.4 163.22 38.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.268 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.436 ' CD2' ' H ' ' A' ' 130' ' ' HIS . 0.3 OUTLIER -121.36 161.27 22.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.556 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -75.28 92.9 0.87 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 133' ' ' GLN . 31.1 m -84.76 -3.64 58.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.408 0.711 . . . . 0.0 110.333 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 132' ' ' THR . 1.3 mt-30 -38.12 -48.36 1.23 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 110.343 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -120.97 125.12 46.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -149.0 169.52 20.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.4 p -100.78 88.39 3.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.033 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -121.64 150.66 41.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.319 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.748 HG22 ' HD3' ' A' ' 140' ' ' PRO . 54.9 mt -113.94 132.64 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.503 ' CD2' HG22 ' A' ' 46' ' ' ILE . 84.6 m-85 -123.31 77.47 53.25 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.748 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.1 Cg_endo -75.1 169.8 21.79 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.433 1.754 . . . . 0.0 110.947 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.568 HD22 ' CB ' ' A' ' 176' ' ' ALA . 0.7 OUTLIER -112.54 -56.46 2.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 67.3 p -63.94 159.97 50.62 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.7 3.61 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.552 1.817 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.66 -47.63 68.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.418 ' HG3' ' CD1' ' A' ' 107' ' ' TYR . 34.6 tt0 -57.73 -38.33 75.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.252 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -45.81 91.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -72.2 -41.32 67.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -56.59 -52.65 64.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.9 -54.68 41.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.227 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.95 -44.72 82.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -55.1 -39.84 69.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.6 p -78.0 -34.14 50.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.771 ' C ' HD23 ' A' ' 153' ' ' LEU . 2.3 tt -64.74 -53.14 51.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -61.62 -20.0 62.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.6 -47.96 7.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.496 ' HB2' ' CH2' ' A' ' 115' ' ' TRP . 13.1 t80 -50.32 -55.81 13.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.463 ' O ' ' CG ' ' A' ' 160' ' ' MET . 12.1 pt20 -59.33 -36.24 75.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.42 -32.1 68.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.16 77.5 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.483 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 7.6 ptm -68.02 -32.76 73.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.483 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.0 OUTLIER -60.96 -41.98 97.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.94 -22.01 66.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.443 ' HB3' ' OD1' ' A' ' 165' ' ' ASP . . . -84.14 -0.48 52.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 109.357 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.9 OUTLIER 77.44 33.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . 0.443 ' OD1' ' HB3' ' A' ' 163' ' ' ALA . 43.3 m-20 -106.28 127.1 52.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -99.12 -3.29 34.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -81.83 80.87 8.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -80.1 143.25 34.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.627 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.679 HG22 ' HB2' ' A' ' 121' ' ' ALA . 0.2 OUTLIER -80.26 131.38 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 4.1 t -77.65 54.94 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.533 HG23 ' CD1' ' A' ' 153' ' ' LEU . 14.9 t -91.69 124.88 36.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.446 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -121.46 139.5 53.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 19.5 mt -118.35 129.44 74.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -145.85 168.94 19.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -44.69 166.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 109.346 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.638 ' HB1' HD12 ' A' ' 46' ' ' ILE . . . -89.33 85.51 6.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 20.7 p -59.94 161.77 11.41 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.408 1.067 . . . . 0.0 110.36 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 108.67 2.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.51 1.795 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 97' ' ' ARG . 4.1 p90 -83.36 145.25 29.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.63 118.75 37.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.416 ' CG ' HG21 ' A' ' 24' ' ' VAL . 56.9 m-85 -44.78 143.03 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -98.62 173.45 6.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -44.88 126.53 5.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -49.06 -24.83 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -45.83 75.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -72.59 -45.09 60.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.413 1.07 . . . . 0.0 109.591 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 0.448 ' C ' ' HG2' ' A' ' 188' ' ' GLN . 0.4 OUTLIER -47.95 122.09 4.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 110.264 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.748 ' OE1' ' HB3' ' A' ' 29' ' ' ALA . 4.0 pt20 40.47 57.86 2.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 110.308 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -85.07 -34.32 22.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.724 HD11 ' HA3' ' A' ' 196' ' ' GLY . 6.7 tp -66.2 -23.71 66.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.889 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -56.95 -34.41 68.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.613 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . 0.496 ' N ' ' CD2' ' A' ' 191' ' ' HIS . 6.9 tttt -67.96 -41.4 82.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.14 103.13 18.48 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.369 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -5.08 16.35 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.452 1.764 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -94.92 21.25 7.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . 0.724 ' HA3' HD11 ' A' ' 190' ' ' LEU . . . -99.37 57.12 0.88 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -50.05 157.93 0.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 110.915 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 29.2 t -118.43 -59.63 1.86 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 108.296 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 148.97 82.57 0.04 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 9.1 pt -139.25 61.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 0.779 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 87.62 -41.71 3.09 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -86.34 76.89 2.08 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 6.0 tp -44.56 149.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.773 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -170.99 52.06 0.19 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.433 1.083 . . . . 0.0 111.054 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 54.0 t -97.02 -59.7 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.398 0.705 . . . . 0.0 109.263 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.24 80.15 8.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.961 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 50.8 mt -89.46 149.63 42.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 155.71 42.4 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 151.1 39.45 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 0.0 110.989 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -49.6 127.62 16.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.244 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.417 ' H1 ' ' HA ' ' A' ' 150' ' ' ARG . 21.8 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 1.012 HD22 ' N ' ' A' ' 3' ' ' PHE . 0.1 OUTLIER -78.62 129.49 34.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 1.012 ' N ' HD22 ' A' ' 2' ' ' LEU . 34.2 p90 -104.19 83.03 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.535 ' HB2' HD21 ' A' ' 2' ' ' LEU . 1.3 m-20 -159.46 152.42 21.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -142.68 123.39 14.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -108.04 167.76 9.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -119.96 127.46 52.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.583 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mp -102.78 177.44 4.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.419 ' O ' ' CE1' ' A' ' 76' ' ' TYR . 11.0 p -58.13 145.72 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.71 169.89 15.83 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 110.032 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -32.93 4.98 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.775 . . . . 0.0 111.083 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.73 -30.28 66.78 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.58 -33.94 18.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.57 174.24 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.08 . . . . 0.0 109.304 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pp -100.02 155.36 36.52 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.406 1.067 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 106.24 2.24 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.446 1.761 . . . . 0.0 111.05 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.425 ' CA ' HG23 ' A' ' 77' ' ' THR . . . -47.37 175.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 0.0 110.97 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -122.38 166.44 14.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -93.02 35.02 1.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.591 1.182 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 20' ' ' THR . 6.3 t -115.08 99.43 52.3 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 137.2 21.44 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.505 1.792 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.9 tpp -71.09 123.11 88.8 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.439 1.087 . . . . 0.0 111.038 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 126.17 9.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.64 HG21 ' HB3' ' A' ' 181' ' ' TYR . 3.8 t -128.07 133.7 66.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.08 152.24 0.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.768 HG22 HD13 ' A' ' 27' ' ' LEU . 1.3 m -83.14 -40.62 19.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.438 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.768 HD13 HG22 ' A' ' 26' ' ' THR . 0.1 OUTLIER -106.79 134.46 49.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.575 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 13.5 t-80 -46.95 149.26 0.91 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.493 1.12 . . . . 0.0 109.573 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.668 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -80.65 -25.91 38.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.07 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 1.09 HG11 ' CE2' ' A' ' 60' ' ' TRP . 80.6 t -95.56 -67.63 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -53.71 -40.57 66.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 73.11 32.1 60.89 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.439 1.087 . . . . 0.0 111.071 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.53 170.82 15.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.776 . . . . 0.0 109.638 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 m -39.52 135.25 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.32 -56.39 2.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 111.097 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.2 p -70.14 -53.95 15.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.432 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -55.73 124.89 18.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.348 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.583 HG21 HD11 ' A' ' 44' ' ' ILE . 4.8 t -119.5 127.85 26.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 146.35 32.86 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.529 1.805 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.53 134.16 53.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.56 -14.53 32.57 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.54 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -104.48 164.53 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 110.99 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -141.74 161.63 37.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.74 ' CG1' HG22 ' A' ' 99' ' ' VAL . 3.2 mt -110.49 155.54 11.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -149.98 130.07 13.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.63 HG22 ' CD2' ' A' ' 139' ' ' TYR . 15.7 mt -95.9 142.7 13.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.397 1.061 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -152.96 143.35 22.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.052 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.14 130.34 51.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.709 ' CB ' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -137.6 -172.85 3.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 111.063 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -67.87 -78.53 0.28 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.525 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -93.03 82.04 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.687 ' CZ ' ' CD1' ' A' ' 53' ' ' TRP . 8.5 p90 -53.06 -19.82 3.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.687 ' CD1' ' CZ ' ' A' ' 52' ' ' PHE . 4.2 m0 -65.01 -48.54 73.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 108.032 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.673 ' HA2' HD23 ' A' ' 190' ' ' LEU . . . -73.93 -42.47 37.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.709 HG21 ' CB ' ' A' ' 49' ' ' MET . 21.9 t -57.65 -61.84 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.81 -37.15 29.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.181 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.456 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 4.0 ttp-105 -73.59 -41.19 63.18 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.578 ' C ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -68.45 -34.61 76.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.576 ' CD1' HG12 ' A' ' 98' ' ' ILE . 0.7 OUTLIER -60.24 -63.63 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.942 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 1.09 ' CE2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -56.75 -53.01 62.7 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.551 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 2.4 mm-40 -48.75 -22.39 0.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.888 HD11 HG21 ' A' ' 113' ' ' VAL . 0.2 OUTLIER -73.79 138.76 76.77 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.497 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.02 109.53 2.95 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.515 1.797 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 134.69 -19.01 4.03 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.527 1.142 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.0 t -90.86 125.95 43.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 0.768 . . . . 0.0 109.312 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.54 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 0.3 OUTLIER -75.2 -57.19 4.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m -158.26 165.22 35.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.402 HG22 ' HA ' ' A' ' 98' ' ' ILE . 37.1 p -133.65 163.2 29.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.473 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.917 ' HB1' ' CE1' ' A' ' 181' ' ' TYR . . . -142.67 121.64 12.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.878 ' HB3' ' OE1' ' A' ' 187' ' ' GLN . . . -88.73 129.0 35.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.492 ' N ' ' NH2' ' A' ' 97' ' ' ARG . . . -150.33 -166.6 13.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.963 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.559 ' CE1' HG11 ' A' ' 85' ' ' VAL . 98.9 m-85 -127.37 154.24 45.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 0.782 . . . . 0.0 111.045 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.6 t -161.16 158.03 26.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.0 -15.18 59.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.454 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -86.75 171.3 43.01 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 11.2 m-85 -113.78 -22.13 10.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 0.749 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.425 HG23 ' CA ' ' A' ' 17' ' ' GLY . 2.9 m -77.83 125.27 85.85 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.6 Cg_endo -74.9 161.81 38.38 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.535 1.808 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.413 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 4.9 m120 40.3 64.24 4.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.458 ' HB2' ' CG2' ' A' ' 85' ' ' VAL . 18.4 Cg_endo -74.92 148.52 35.79 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.578 1.83 . . . . 0.0 111.001 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 85' ' ' VAL . 39.3 m -107.96 163.21 13.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.457 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -62.02 -46.58 88.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -40.89 67.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -62.89 -45.14 93.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.252 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 81' ' ' THR . 47.3 t -64.45 -40.67 89.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.33 -25.73 36.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.989 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -37.08 81.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.462 ' CA ' ' OE1' ' A' ' 133' ' ' GLN . . . 81.04 14.74 78.77 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.412 1.07 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -89.19 -12.65 40.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 0.78 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 67.5 p -89.6 -25.6 21.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.362 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.84 17.17 70.86 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.454 ' CG ' ' HA3' ' A' ' 75' ' ' GLY . 60.6 m-70 -80.71 142.6 33.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 109.599 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.52 163.77 14.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.94 113.28 20.43 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.84 162.55 29.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.685 HG23 HD11 ' A' ' 98' ' ' ILE . 27.0 m -140.67 164.94 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.865 ' C ' HD12 ' A' ' 98' ' ' ILE . 0.7 OUTLIER -113.25 142.83 45.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.865 HD12 ' C ' ' A' ' 97' ' ' ARG . 3.3 mp -131.29 115.23 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.74 HG22 ' CG1' ' A' ' 44' ' ' ILE . 93.0 t -113.04 99.76 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.644 ' HD2' HG22 ' A' ' 98' ' ' ILE . 51.2 p90 -128.05 176.87 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.24 135.87 19.27 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -2.99 13.26 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.436 1.756 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.85 -21.49 15.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.041 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 80.1 t -97.69 -49.85 11.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.527 HG23 ' CD1' ' A' ' 100' ' ' TYR . 2.0 tt -123.77 149.68 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.0 p -106.37 152.85 23.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.96 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 32.2 p90 -60.14 -31.37 70.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.457 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -61.22 -39.89 91.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.283 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -66.7 -46.67 74.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.638 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 25.4 mt -55.95 -49.58 73.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.22 -44.77 96.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -56.84 -50.86 71.15 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.888 HG21 HD11 ' A' ' 62' ' ' LEU . 1.8 t -60.03 -50.57 79.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.424 ' O ' ' N ' ' A' ' 118' ' ' HIS . 4.4 t80 -54.49 -50.0 68.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.421 1.076 . . . . 0.0 110.966 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.493 ' HB3' ' CE1' ' A' ' 156' ' ' PHE . 71.4 m95 -65.29 -21.68 66.75 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -85.57 -26.96 25.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 113' ' ' VAL . 8.9 t-20 -104.23 4.34 33.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.585 1.178 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.561 ' C ' ' CD2' ' A' ' 118' ' ' HIS . 0.0 OUTLIER -72.47 169.29 16.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.606 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.46 147.77 38.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 157.29 42.64 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -85.77 125.66 33.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.255 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -138.83 51.94 1.8 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 124' ' ' MET . . . 76.72 29.92 56.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.448 1.093 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 123' ' ' GLY . 0.0 OUTLIER -37.39 -51.32 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 111.054 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.1 128.78 36.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.54 169.22 14.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.598 1.186 . . . . 0.0 110.238 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -40.4 -73.64 0.18 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -102.49 90.5 3.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.463 ' HB2' ' CG2' ' A' ' 132' ' ' THR . 1.1 p30 -84.91 166.86 16.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -160.54 -41.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.605 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -85.39 44.1 3.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.463 ' CG2' ' HB2' ' A' ' 129' ' ' ASP . 22.7 p -84.35 -2.68 57.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 110.387 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.462 ' OE1' ' CA ' ' A' ' 88' ' ' GLY . 25.2 mm100 -40.29 -55.88 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 110.269 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.519 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 35.4 p90 -85.97 128.07 34.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -146.01 168.03 21.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.248 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.6 m -111.0 131.94 54.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.032 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -163.4 150.8 12.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.231 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.429 HG22 ' HD3' ' A' ' 140' ' ' PRO . 8.0 mt -110.74 131.15 62.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.63 ' CD2' HG22 ' A' ' 46' ' ' ILE . 91.2 m-85 -126.63 79.13 71.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.429 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.2 Cg_endo -74.98 169.89 21.62 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.504 1.792 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 141' ' ' LEU . 1.1 mm? -118.59 -45.54 2.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 67.7 p -81.15 160.93 64.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.444 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -34.55 3.77 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.535 1.808 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.05 -42.94 83.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -58.8 -45.7 89.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.308 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -45.21 87.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.36 -41.3 96.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.387 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -67.57 -42.82 81.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.89 -58.0 9.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.417 ' HA ' ' H1 ' ' A' ' 1' ' ' SER . 14.2 ptt180 -59.41 -31.95 69.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.228 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.406 ' N ' ' HG3' ' A' ' 150' ' ' ARG . . . -62.38 -43.83 97.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 91.9 p -69.53 -49.06 57.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 4.7 tt -53.81 -53.05 57.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -55.67 -30.97 61.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -81.07 -35.93 31.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.282 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 115' ' ' TRP . 0.3 OUTLIER -75.48 -46.89 29.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.974 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.77 -35.08 77.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.4 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -70.08 -45.98 65.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.81 -45.36 94.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -59.45 -46.9 87.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -31.9 72.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.14 -18.66 63.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.45 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -80.33 -4.88 55.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.609 1.193 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 5.7 t70 77.68 21.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.406 1.066 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.2 136.47 40.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.65 12.29 28.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.18 81.93 5.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 110.25 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -72.86 144.3 47.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.639 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.1 mp -67.57 142.08 16.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 9.5 t -87.92 41.93 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.084 . . . . 0.0 110.434 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.444 HG21 ' CH2' ' A' ' 115' ' ' TRP . 8.6 m -94.07 124.84 38.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 110.38 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -122.17 140.01 53.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.234 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 23.2 mt -111.72 121.18 63.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.247 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -149.34 164.61 34.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -42.15 162.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.408 ' HB1' HD12 ' A' ' 46' ' ' ILE . . . -85.43 83.43 7.94 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -60.61 163.14 9.71 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.61 1.194 . . . . 0.0 110.412 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 131.42 14.2 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.778 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.656 ' CD2' ' NE ' ' A' ' 97' ' ' ARG . 17.9 p90 -100.2 144.9 28.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.431 1.082 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -104.75 106.22 16.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.917 ' CE1' ' HB1' ' A' ' 69' ' ' ALA . 0.6 OUTLIER -38.16 143.76 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 111.031 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.466 ' O ' ' CG2' ' A' ' 24' ' ' VAL . . . -103.35 174.04 6.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -46.3 143.98 2.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 13.0 p30 -64.31 -22.81 67.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -64.97 -38.68 91.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -69.02 -40.12 78.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.589 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 0.878 ' OE1' ' HB3' ' A' ' 70' ' ' ALA . 2.6 mp0 -49.01 116.37 1.64 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.759 ' HG2' HG23 ' A' ' 30' ' ' VAL . 10.2 mp0 46.34 54.53 8.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.27 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.452 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 6.4 t80 -85.34 -31.19 23.13 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 111.049 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.673 HD23 ' HA2' ' A' ' 54' ' ' GLY . 8.2 tp -76.22 -39.92 53.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.544 ' CG ' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -56.46 -30.66 63.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.631 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -65.8 -38.17 88.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.572 ' HB2' ' CE2' ' A' ' 195' ' ' TYR . 0.1 OUTLIER -138.35 101.15 8.34 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 0.42 8.89 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.464 1.771 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 193' ' ' ASN . 24.9 p90 -98.48 15.94 23.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -112.63 44.08 1.58 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.398 1.061 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -65.95 130.99 45.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 0.749 . . . . 0.0 110.987 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 2.5 p -136.61 140.78 43.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 108.281 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 64.23 -85.25 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.043 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 2.0 pt -61.45 97.82 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 109.333 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -110.57 54.63 0.53 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -121.61 153.39 16.72 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 8.8 tt -68.78 -16.3 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 46.1 -115.08 1.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.537 1.148 . . . . 0.0 110.937 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 24.7 t -116.34 -42.59 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 2.6 t -58.79 162.07 4.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.941 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 45.8 mt -95.42 151.18 38.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.08 152.43 40.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.449 1.763 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 167.66 26.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.75 170.23 12.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.133 . . . . 0.0 109.236 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.27 -59.88 2.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -158.83 172.29 18.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -147.82 101.88 3.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.4 60.48 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.29 99.84 9.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -138.41 15.64 2.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.597 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.493 HD13 ' HA ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -94.94 173.28 7.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.673 HG11 ' C ' ' A' ' 89' ' ' ASP . 11.0 p -54.85 148.62 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.392 1.057 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -77.36 157.0 81.04 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 110.068 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -26.82 10.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.35 -23.77 54.2 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.159 . . . . 0.0 109.37 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.0 -39.38 13.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.95 89.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.1 158.09 65.69 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 111.45 3.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.483 1.78 . . . . 0.0 111.008 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.95 -117.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.406 1.066 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.39 166.43 21.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -109.2 34.47 3.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.0 m -109.11 100.42 40.44 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.407 1.067 . . . . 0.0 110.484 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.435 ' HA ' ' ND2' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -75.0 138.34 22.9 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.513 1.797 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.04 145.18 73.21 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.399 1.062 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 131.63 14.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.481 HG21 ' HB3' ' A' ' 181' ' ' TYR . 42.4 t -121.52 128.21 75.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.79 150.27 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.522 HG22 HD13 ' A' ' 27' ' ' LEU . 22.3 m -77.36 -44.42 29.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.445 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.522 HD13 HG22 ' A' ' 26' ' ' THR . 0.2 OUTLIER -106.01 134.2 49.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.142 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.569 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 15.2 t-80 -48.95 155.16 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 109.63 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.429 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -84.3 -27.79 27.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 1.057 HG11 ' CD2' ' A' ' 60' ' ' TRP . 43.1 t -91.21 -68.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -54.5 -39.98 68.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.17 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.25 23.33 76.09 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -132.78 170.92 14.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 0.725 . . . . 0.0 109.587 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -39.14 138.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.408 1.067 . . . . 0.0 110.007 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.65 -65.02 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.7 p -63.55 -51.74 64.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -54.92 129.22 36.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.773 HG21 HD11 ' A' ' 44' ' ' ILE . 2.5 t -126.16 115.59 23.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 147.13 33.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.413 1.743 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.11 131.01 36.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.4 -4.45 31.28 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.477 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 0.1 OUTLIER -111.7 150.36 30.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 0.767 . . . . 0.0 111.045 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 0.8 OUTLIER -127.73 165.33 20.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.773 HD11 HG21 ' A' ' 38' ' ' VAL . 3.2 mt -121.69 155.58 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -149.66 145.28 26.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.397 1.061 . . . . 0.0 109.299 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 93.5 mt -118.97 128.43 75.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.246 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -137.92 151.49 48.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.525 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -130.46 121.19 25.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.606 ' CB ' HG21 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -137.39 155.21 49.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 111.031 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.56 -75.45 0.15 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.817 ' HB2' HD12 ' A' ' 200' ' ' ILE . 4.1 p -76.59 59.4 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.491 ' CD1' ' N ' ' A' ' 53' ' ' TRP . 9.0 p90 -50.81 -37.37 42.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.796 ' CH2' ' CD1' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -61.94 -51.01 69.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 108.046 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.568 ' HA3' HD11 ' A' ' 200' ' ' ILE . . . -70.99 -31.6 66.73 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.031 ' HA ' HD23 ' A' ' 58' ' ' LEU . 73.2 t -65.14 -54.0 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.56 0.8 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -40.72 51.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.495 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 1.4 ttt180 -68.36 -36.72 79.62 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.396 1.06 . . . . 0.0 110.37 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.031 HD23 ' HA ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -71.78 -33.63 68.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.542 ' CG ' HG12 ' A' ' 98' ' ' ILE . 1.0 OUTLIER -60.01 -63.61 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 110.973 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 1.057 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -56.58 -49.79 73.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 108.026 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.612 ' OE1' ' CZ2' ' A' ' 60' ' ' TRP . 11.4 mm100 -51.52 -20.34 1.86 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.587 1.179 . . . . 0.0 110.228 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.594 HD11 HG21 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -76.99 140.35 66.54 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.498 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.04 111.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.91 -17.18 4.65 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.415 1.072 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 60' ' ' TRP . 27.2 t -89.52 121.11 39.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.477 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 1.1 t80 -78.1 -56.2 4.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.0 m -148.23 165.65 30.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.49 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 82.7 p -144.65 167.3 22.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.433 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.458 ' O ' HG13 ' A' ' 96' ' ' VAL . . . -155.71 130.07 8.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.587 ' HA ' HG22 ' A' ' 96' ' ' VAL . . . -91.41 132.65 36.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' ALA . . . -158.23 -161.43 10.99 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.524 ' CD1' ' N ' ' A' ' 72' ' ' TYR . 0.6 OUTLIER -146.0 160.69 41.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 0.739 . . . . 0.0 110.978 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.491 ' OG1' ' CG2' ' A' ' 177' ' ' THR . 6.0 t -166.44 170.9 12.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.355 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.11 -18.89 56.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.576 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -79.69 -169.67 38.9 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -115.06 -31.39 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 0.728 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.404 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 4.2 m -74.56 124.47 89.78 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.567 1.167 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.87 147.5 34.64 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.08 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.435 ' ND2' ' HA ' ' A' ' 21' ' ' PRO . 13.5 t-20 49.7 65.23 7.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.45 ' HB2' ' CG2' ' A' ' 85' ' ' VAL . 18.3 Cg_endo -74.95 158.48 42.38 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.429 1.752 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.69 ' O ' HG23 ' A' ' 85' ' ' VAL . 20.5 m -116.43 158.34 23.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.438 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -65.44 -29.6 70.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.64 -51.48 55.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 85' ' ' VAL . 14.3 pt-20 -73.57 -44.5 57.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 81' ' ' THR . 52.3 t -55.52 -38.68 50.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.174 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 26.1 t -56.2 -34.06 65.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.996 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.66 -39.43 84.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.015 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.07 15.14 63.23 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.673 ' C ' HG11 ' A' ' 9' ' ' VAL . 3.9 p30 -95.06 19.31 10.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 0.816 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.6 p -115.14 -12.77 11.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.341 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.79 6.2 58.94 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 0.0 111.009 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.576 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 26.4 m-70 -79.77 154.5 28.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.784 . . . . 0.0 109.6 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -121.38 163.36 18.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.525 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 3.1 mm-40 -82.05 112.13 18.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 71' ' ' GLY . . . -131.5 153.31 49.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.363 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 70' ' ' ALA . 71.8 t -137.61 141.52 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.564 ' HB2' ' CE1' ' A' ' 179' ' ' PHE . 27.3 ttp180 -92.31 136.83 32.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 110.234 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.542 HG12 ' CG ' ' A' ' 59' ' ' PHE . 3.3 mp -128.17 121.79 56.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.657 HG22 HG12 ' A' ' 44' ' ' ILE . 48.9 t -109.14 101.13 12.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.554 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 8.1 p90 -125.75 170.32 11.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -104.21 134.82 19.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -75.05 -1.27 11.02 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.18 -13.66 23.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.979 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.9 t -114.03 -48.49 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.536 HG23 ' CD1' ' A' ' 100' ' ' TYR . 4.9 tp -123.24 142.15 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.589 1.181 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.2 p -109.19 157.74 18.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.033 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.565 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 4.8 p90 -61.38 -30.69 70.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.565 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.6 tt0 -66.67 -33.53 75.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -75.29 -45.39 40.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.554 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 46.7 mt -56.84 -41.57 78.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.547 ' HB3' ' CZ2' ' A' ' 115' ' ' TRP . 18.3 mt -68.63 -44.87 73.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -53.74 -45.61 70.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.594 HG21 HD11 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -70.32 -39.2 76.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.41 ' HA ' ' HE1' ' A' ' 49' ' ' MET . 12.4 t80 -56.74 -37.79 71.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.547 ' CZ2' ' HB3' ' A' ' 111' ' ' LEU . 5.8 m0 -71.58 -17.73 62.28 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -84.12 -35.35 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 0.0 110.249 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.651 HD22 HD22 ' A' ' 58' ' ' LEU . 4.0 t-20 -91.06 -21.35 21.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.083 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.6 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 13.1 t-80 -65.43 146.57 54.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.619 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.6 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 3.5 m-20 -107.48 152.22 41.26 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 173.03 15.22 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.748 ' HB2' HG13 ' A' ' 169' ' ' ILE . . . -81.35 119.96 24.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.413 1.071 . . . . 0.0 109.3 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.94 50.68 1.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 44.76 86.0 0.01 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 5.2 ttp -103.91 -57.19 2.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 0.716 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -73.95 128.47 35.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -135.57 178.75 6.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.255 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -97.71 50.11 1.41 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.45 1.094 . . . . 0.0 111.047 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -152.73 -58.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.76 132.82 48.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -122.55 104.57 9.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.567 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.629 ' O ' ' CE2' ' A' ' 134' ' ' TYR . . . 157.92 54.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.55 1.156 . . . . 0.0 111.057 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.537 ' HA ' ' CE1' ' A' ' 134' ' ' TYR . 18.2 p -74.43 0.93 13.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.601 0.824 . . . . 0.0 110.38 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 132' ' ' THR . 0.9 OUTLIER -36.98 -32.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.629 ' CE2' ' O ' ' A' ' 131' ' ' GLY . 0.3 OUTLIER -87.09 39.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 132' ' ' THR . 0.4 OUTLIER -75.21 150.95 38.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.5 p -102.23 121.91 43.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.97 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.457 ' H ' ' HB3' ' A' ' 48' ' ' ALA . . . -151.07 162.13 41.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.498 HG22 ' HD3' ' A' ' 140' ' ' PRO . 44.7 mt -120.88 132.84 69.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.083 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -126.46 81.23 68.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.498 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.2 Cg_endo -74.97 168.17 25.44 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.792 . . . . 0.0 110.964 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.9 mp -116.14 -37.99 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 64.3 p -90.15 159.15 42.9 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.401 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -36.15 2.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -64.24 -37.74 88.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -71.48 -32.22 68.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -47.12 70.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -59.19 -40.86 87.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.3 -43.15 67.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.02 -58.98 6.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -59.16 -31.09 68.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -63.42 -35.6 80.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.521 ' OG ' ' CZ2' ' A' ' 115' ' ' TRP . 1.4 m -65.22 -42.52 93.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.52 ' C ' HD23 ' A' ' 153' ' ' LEU . 8.0 tt -61.62 -42.45 98.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -62.42 -45.57 92.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.358 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -70.45 -31.95 69.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.78 -41.28 92.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.447 ' O ' ' CG ' ' A' ' 160' ' ' MET . 17.7 tt0 -65.59 -45.03 84.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.319 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.08 -31.72 68.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.251 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.4 -48.77 76.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.48 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 3.1 ptt? -68.11 -32.95 73.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.48 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.0 OUTLIER -60.93 -43.42 98.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.59 -22.15 66.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 1.073 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -80.89 -6.1 58.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.4 OUTLIER 75.4 29.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -116.0 108.66 16.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.166 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -87.56 47.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.333 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . 0.478 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 0.1 OUTLIER -119.58 93.82 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.364 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -62.63 145.78 53.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.601 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.748 HG13 ' HB2' ' A' ' 121' ' ' ALA . 2.9 mp -82.31 149.91 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 20.0 m -91.16 43.13 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.474 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.4 m -91.31 124.77 35.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.574 1.172 . . . . 0.0 110.397 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.67 145.81 49.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 6.1 mt -119.49 127.02 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -142.64 165.2 28.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -48.97 162.22 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.42 1.075 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -87.41 82.07 7.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . 0.491 ' CG2' ' OG1' ' A' ' 73' ' ' THR . 0.5 OUTLIER -71.62 161.62 77.55 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.444 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 98.71 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.573 1.828 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 97' ' ' ARG . 0.4 OUTLIER -77.51 145.31 37.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -89.8 126.45 35.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.481 ' HB3' HG21 ' A' ' 24' ' ' VAL . 32.3 m-85 -48.07 170.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -118.17 174.73 6.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -50.82 141.53 13.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.583 1.177 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -59.99 -28.8 68.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -35.73 81.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 109.241 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -79.33 -35.03 41.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -50.1 112.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.449 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 7.2 mp0 45.54 56.73 5.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.796 ' CD1' ' CH2' ' A' ' 53' ' ' TRP . 13.1 t80 -85.46 -32.31 22.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.045 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.487 ' CD1' ' HA2' ' A' ' 54' ' ' GLY . 0.4 OUTLIER -73.73 -34.69 64.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -31.27 63.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.652 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -66.32 -27.18 67.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.97 97.87 10.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 2.39 6.69 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.777 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -87.58 22.12 2.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 110.958 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . 0.446 ' HA3' HD21 ' A' ' 190' ' ' LEU . . . -119.6 131.74 9.13 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.443 1.089 . . . . 0.0 111.07 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -89.83 160.43 16.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 0.765 . . . . 0.0 110.962 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 200' ' ' ILE . 20.7 t -57.38 -18.79 19.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 108.322 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -68.6 59.01 0.48 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.817 HD12 ' HB2' ' A' ' 51' ' ' CYS . 1.8 mt -87.64 114.12 25.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.557 0.798 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -164.56 -44.43 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -37.89 110.91 0.13 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.464 HG23 ' N ' ' A' ' 204' ' ' GLY . 0.7 OUTLIER -64.37 -52.45 55.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.474 0.75 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . 0.464 ' N ' HG23 ' A' ' 203' ' ' ILE . . . 70.21 173.74 13.13 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.541 1.151 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 18.2 m -50.05 128.32 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 109.364 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 30.2 p -103.95 145.49 30.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 208' ' ' PRO . 16.3 mt -95.11 140.63 22.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 209' ' ' PRO . 18.3 Cg_endo -75.08 142.62 27.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.484 1.781 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 208' ' ' PRO . 18.5 Cg_endo -74.97 179.38 6.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.445 1.76 . . . . 0.0 111.048 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -43.75 134.39 4.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -79.57 159.92 26.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -137.95 171.52 14.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -145.72 171.25 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 162.81 26.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -107.41 81.55 1.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -130.16 37.56 3.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.629 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.575 HD12 ' H ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -146.15 -154.18 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.575 ' H ' HD12 ' A' ' 8' ' ' LEU . 2.8 p -61.25 154.5 4.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.3 m -68.15 156.37 90.04 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.019 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -17.0 19.92 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.502 1.791 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.99 -24.12 61.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.08 -39.81 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.98 98.29 7.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -100.26 160.32 27.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 99.08 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.463 1.77 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.62 -91.83 0.02 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -135.75 155.55 50.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 0.742 . . . . 0.0 110.23 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -101.38 30.2 4.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.448 ' O ' ' CB ' ' A' ' 79' ' ' ASN . 20.1 p -122.62 145.42 44.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 110.431 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.444 ' HA ' ' OD1' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -74.99 150.23 37.88 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.0 mtp -70.56 150.67 95.55 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 124.8 8.89 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.443 1.759 . . . . 0.0 111.054 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.693 HG21 ' HB3' ' A' ' 181' ' ' TYR . 49.8 t -137.46 140.01 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.38 150.46 6.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.771 HG22 HD13 ' A' ' 27' ' ' LEU . 2.3 m -77.45 -42.81 34.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.771 HD13 HG22 ' A' ' 26' ' ' THR . 0.1 OUTLIER -107.93 131.81 54.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.561 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 15.4 t-80 -50.71 155.93 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.084 . . . . 0.0 109.609 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.452 ' HB3' ' CB ' ' A' ' 188' ' ' GLN . . . -84.9 -27.39 26.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 1.043 HG11 ' CD2' ' A' ' 60' ' ' TRP . 51.9 t -91.8 -67.4 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 11.6 t30 -55.83 -40.34 72.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.2 20.04 70.7 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.568 1.168 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -134.15 170.26 15.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 0.738 . . . . 0.0 109.592 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 33' ' ' HIS . 11.4 m -39.38 145.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.18 -38.86 9.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.8 t -90.73 20.34 4.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 110.384 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -93.94 127.35 39.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.625 HG22 HG11 ' A' ' 99' ' ' VAL . 17.4 t -137.58 99.78 9.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 134.92 18.31 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.65 125.1 2.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.29 1.01 31.31 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.443 1.089 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.449 ' HE2' ' OD1' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -104.09 165.64 10.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 0.747 . . . . 0.0 110.979 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.62 152.61 42.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.919 ' O ' HD12 ' A' ' 141' ' ' LEU . 3.2 mt -104.95 148.98 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.652 ' HB1' ' HE1' ' A' ' 47' ' ' PHE . . . -138.11 131.92 31.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.889 HG21 ' CE2' ' A' ' 179' ' ' PHE . 97.1 mt -120.52 135.19 61.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.652 ' HE1' ' HB1' ' A' ' 45' ' ' ALA . 78.5 m-85 -146.38 165.33 29.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 136' ' ' SER . . . -139.41 133.04 30.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 109.227 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.654 ' HB2' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -149.42 -172.25 4.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' PHE . . . -69.96 -80.97 0.25 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 1.214 ' SG ' ' SG ' ' A' ' 198' ' ' CYS . 0.1 OUTLIER -62.08 82.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.842 ' CZ ' ' HB1' ' A' ' 70' ' ' ALA . 73.7 t80 -61.34 -28.15 69.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.475 ' HB3' HD23 ' A' ' 190' ' ' LEU . 8.3 m0 -82.39 -40.43 21.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 107.982 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.48 ' HA3' HD11 ' A' ' 200' ' ' ILE . . . -75.23 -28.37 62.19 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.491 1.12 . . . . 0.0 110.965 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 51' ' ' CYS . 42.9 t -66.31 -60.36 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 0.785 . . . . 0.0 109.279 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 59' ' ' PHE . 12.5 pt-20 -49.24 -38.76 27.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.536 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 7.6 mmp_? -70.46 -38.47 74.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 110.307 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.638 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -65.87 -20.12 66.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.582 ' O ' HG21 ' A' ' 65' ' ' VAL . 2.1 m-85 -81.94 -53.73 5.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 1.043 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -70.19 -50.98 34.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 108.006 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.645 ' NE2' ' CZ2' ' A' ' 60' ' ' TRP . 1.4 mm-40 -50.34 -20.79 1.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.635 HD23 HG23 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -81.09 139.81 49.4 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.4 Cg_endo -74.93 108.6 2.75 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.469 1.773 . . . . 0.0 111.072 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.496 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 139.07 -21.83 2.96 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.635 HG23 HD23 ' A' ' 62' ' ' LEU . 41.4 t -85.99 123.07 39.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.404 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 9.1 t80 -81.18 -55.28 4.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 m -147.23 165.81 28.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.704 HG22 HG23 ' A' ' 98' ' ' ILE . 26.5 p -147.97 160.82 42.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.404 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.553 ' HB3' ' CG ' ' A' ' 97' ' ' ARG . . . -148.8 142.65 25.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.842 ' HB1' ' CZ ' ' A' ' 52' ' ' PHE . . . -102.16 127.43 49.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 95' ' ' ALA . . . -141.81 -170.77 12.6 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.145 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.609 ' CE1' HG11 ' A' ' 85' ' ' VAL . 93.0 m-85 -124.96 153.76 42.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 0.773 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.581 HG21 ' CZ ' ' A' ' 179' ' ' PHE . 8.8 t -153.19 162.07 41.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.449 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.61 -11.84 54.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.481 1.113 . . . . 0.0 111.043 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.566 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -80.72 169.47 52.27 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -114.76 -18.92 11.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.483 ' CG2' ' HB3' ' A' ' 80' ' ' PRO . 94.8 m -77.92 131.03 71.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.358 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.4 Cg_endo -75.02 119.33 5.6 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.508 1.794 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.448 ' CB ' ' O ' ' A' ' 20' ' ' THR . 45.0 m-80 40.01 65.68 3.66 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.564 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.97 177.34 8.71 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.556 1.819 . . . . 0.0 111.06 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.45 ' OG1' ' CB ' ' A' ' 84' ' ' GLU . 71.8 p -95.39 152.73 18.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.356 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -54.16 -45.42 72.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.159 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -35.29 79.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.482 ' HG2' ' CG2' ' A' ' 90' ' ' THR . 38.6 tt0 -72.36 -34.02 67.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.434 1.084 . . . . 0.0 110.278 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.609 HG11 ' CE1' ' A' ' 72' ' ' TYR . 3.2 t -70.09 -40.01 77.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 44.3 p -63.96 -27.44 69.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 53.7 m -62.47 -36.26 81.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.36 15.76 61.65 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -91.89 -0.26 57.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 0.744 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.482 ' CG2' ' HG2' ' A' ' 84' ' ' GLU . 12.4 p -108.26 -25.32 11.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.38 25.04 69.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.566 ' CG ' ' HA3' ' A' ' 75' ' ' GLY . 29.7 m-70 -83.09 145.8 29.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 0.774 . . . . 0.0 109.648 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -116.6 159.17 22.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.58 ' CG ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -76.76 111.04 11.86 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 110.253 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 71' ' ' GLY . . . -142.77 151.13 40.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.709 ' CG1' ' CE1' ' A' ' 52' ' ' PHE . 10.4 m -142.38 149.2 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.553 ' CG ' ' HB3' ' A' ' 69' ' ' ALA . 0.5 OUTLIER -103.8 144.85 30.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.704 HG23 HG22 ' A' ' 68' ' ' THR . 4.5 mp -134.15 134.13 55.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.826 HG22 ' CG1' ' A' ' 44' ' ' ILE . 88.2 t -113.46 102.49 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.346 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -120.47 179.54 4.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.449 ' OD1' ' HE2' ' A' ' 42' ' ' MET . 0.5 OUTLIER -105.82 131.27 21.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -3.14 13.49 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.519 1.799 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 t -95.21 -26.87 15.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.496 HG11 ' HA2' ' A' ' 64' ' ' GLY . 84.4 t -85.65 -49.14 15.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.576 ' CD1' HD21 ' A' ' 62' ' ' LEU . 14.8 tt -131.64 155.61 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 92.9 p -101.09 152.06 21.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.04 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.605 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 25.3 p90 -56.73 -37.37 70.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.657 ' HA ' HD12 ' A' ' 111' ' ' LEU . 20.4 pt-20 -61.82 -39.45 91.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -59.58 -47.03 87.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.249 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 18.6 mt -59.74 -39.84 86.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.657 HD12 ' HA ' ' A' ' 108' ' ' GLU . 4.5 mt -69.86 -29.43 66.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.235 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.544 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 2.9 tt0 -58.1 -50.87 71.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.447 HG22 ' OD1' ' A' ' 117' ' ' ASN . 0.6 OUTLIER -73.03 -34.39 45.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.774 ' CE2' HD11 ' A' ' 138' ' ' ILE . 87.0 t80 -54.13 -38.06 65.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.586 1.178 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.544 ' CE3' ' HA ' ' A' ' 112' ' ' GLN . 3.9 m0 -74.72 -25.96 59.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 108.05 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -80.88 -36.05 31.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.268 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.463 ' HB2' ' CE ' ' A' ' 49' ' ' MET . 34.2 m120 -93.59 5.34 51.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.512 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -72.65 171.75 11.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.603 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.512 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 0.9 OUTLIER -114.8 146.27 35.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 156.5 42.7 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.811 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 167' ' ' ARG . . . -87.02 134.3 33.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.26 35.77 4.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.244 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.13 26.81 61.18 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.3 107.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 111.006 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -133.31 169.76 16.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.26 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.9 pm0 -94.06 145.95 24.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 129.9 -109.76 0.98 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.68 76.82 8.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 0.811 . . . . 0.0 109.272 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -159.54 169.29 24.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.43 71.46 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.551 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -139.69 29.72 2.45 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 40.2 p -83.74 -40.7 18.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 0.738 . . . . 0.0 110.42 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -46.66 -47.67 20.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.258 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.425 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 25.7 p90 -117.97 127.72 54.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -144.35 128.35 17.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.085 . . . . 0.0 110.273 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 14.6 m -64.81 107.79 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -142.85 144.72 32.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.393 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.774 HD11 ' CE2' ' A' ' 114' ' ' PHE . 50.2 mt -110.07 132.95 56.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -126.92 80.84 70.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.528 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.4 Cg_endo -75.03 167.37 27.16 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.456 1.766 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.919 HD12 ' O ' ' A' ' 44' ' ' ILE . 7.1 mt -108.64 -56.7 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.4 p -76.68 163.99 62.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.411 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -35.55 3.05 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.546 1.814 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.89 -36.41 74.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.372 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.422 ' HG2' ' CB ' ' A' ' 107' ' ' TYR . 45.9 mt-30 -72.98 -43.98 61.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.72 -43.06 72.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.98 -50.21 43.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 109.332 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -55.97 -48.02 76.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.84 -58.46 7.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.367 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -56.05 -39.04 71.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.3 -45.5 80.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.515 ' CB ' ' CZ2' ' A' ' 115' ' ' TRP . 7.8 p -69.01 -42.15 76.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 0.0 109.957 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.629 ' O ' HD23 ' A' ' 153' ' ' LEU . 3.5 tt -58.68 -52.45 65.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.214 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.13 -29.89 70.65 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -75.93 -53.93 7.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.25 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -54.55 -46.37 73.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -59.39 -46.93 87.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 110.221 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.07 81.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.22 -43.6 95.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.515 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 9.8 ttp -62.58 -37.93 88.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -39.61 94.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.52 -20.26 64.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 160' ' ' MET . . . -77.15 -7.57 56.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.4 t70 81.79 24.87 0.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 109.255 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.05 122.13 45.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -92.24 7.54 42.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . 0.427 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 18.2 mtt180 -83.27 75.66 9.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.436 ' NE2' ' O ' ' A' ' 169' ' ' ILE . 3.0 t-80 -61.72 140.44 58.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.565 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.655 HG22 HG23 ' A' ' 171' ' ' THR . 1.0 OUTLIER -79.29 142.47 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 1.5 t -92.81 56.24 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.655 HG23 HG22 ' A' ' 169' ' ' ILE . 5.4 p -90.41 124.72 35.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.409 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -121.68 133.46 54.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.36 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 21.6 mt -109.4 121.85 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -137.07 168.29 19.88 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -54.05 163.18 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . . . . . . . . . . . -93.0 67.0 4.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . 0.582 HG22 ' CE1' ' A' ' 179' ' ' PHE . 0.5 OUTLIER -59.6 163.95 6.2 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.404 1.065 . . . . 0.0 110.364 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . 0.404 ' HD2' ' OG1' ' A' ' 177' ' ' THR . 18.0 Cg_endo -75.0 105.68 2.13 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.44 1.758 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.889 ' CE2' HG21 ' A' ' 46' ' ' ILE . 10.7 m-30 -85.28 147.37 26.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.082 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . 0.409 ' O ' ' O ' ' A' ' 181' ' ' TYR . 59.8 m-85 -88.68 119.22 28.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.693 ' HB3' HG21 ' A' ' 24' ' ' VAL . 18.2 m-85 -46.51 174.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -118.55 173.99 6.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.474 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 0.4 OUTLIER -42.55 132.55 3.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -55.39 -23.15 23.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.83 -44.01 82.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.339 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . 0.474 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 75.7 m-70 -68.48 -37.43 80.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.598 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 0.624 ' OE1' ' HB3' ' A' ' 70' ' ' ALA . 14.6 mm100 -49.47 108.45 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.349 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.452 ' CB ' ' HB3' ' A' ' 29' ' ' ALA . 4.8 mp0 59.49 44.96 14.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.554 ' CD1' ' C ' ' A' ' 189' ' ' TYR . 0.6 OUTLIER -85.14 -24.43 27.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.659 HD21 ' O ' ' A' ' 196' ' ' GLY . 0.4 OUTLIER -74.58 -46.56 37.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.433 ' N ' ' HD2' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -65.21 -29.03 69.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.574 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.87 -29.59 70.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.3 OUTLIER -139.05 108.72 7.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -3.64 14.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.415 1.745 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -97.47 23.63 7.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 111.056 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . 0.659 ' O ' HD21 ' A' ' 190' ' ' LEU . . . -120.94 46.95 1.06 Allowed Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . 0.559 ' O ' ' CD2' ' A' ' 197' ' ' TYR . 50.9 p90 -82.32 118.5 23.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 111.008 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 1.214 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 5.0 p -87.91 55.09 3.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 108.272 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 38.31 76.74 0.07 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.48 HD11 ' HA3' ' A' ' 54' ' ' GLY . 86.6 mt -88.27 138.1 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.795 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 109.67 -66.26 0.24 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.567 1.167 . . . . 0.0 110.945 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -172.14 115.95 0.6 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 2.1 pp -57.51 159.4 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 109.352 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -74.11 -90.58 0.16 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 29.4 m -125.5 121.67 60.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 44.2 t -52.43 101.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 66.4 mt -70.1 155.17 93.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 209' ' ' PRO . 18.3 Cg_endo -74.96 154.61 42.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.51 1.795 . . . . 0.0 111.019 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 208' ' ' PRO . 18.3 Cg_endo -75.04 -174.64 2.01 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.512 1.796 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.83 -23.69 52.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 110.289 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.2 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 31.4 tp -63.67 146.26 54.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -153.6 179.95 8.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -84.59 179.6 7.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.09 163.14 12.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.431 ' HZ1' ' CD ' ' A' ' 172' ' ' GLU . 0.0 OUTLIER -91.16 169.59 10.72 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.441 1.088 . . . . 0.0 109.26 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -109.96 142.17 41.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.614 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.83 178.65 6.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.232 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.3 p -54.72 147.39 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.57 172.14 10.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.993 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -31.74 5.93 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.59 1.837 . . . . 0.0 111.014 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.1 -23.73 54.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.28 -37.7 23.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.44 92.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.934 HD13 ' HD2' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -99.7 138.16 20.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.23 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.934 ' HD2' HD13 ' A' ' 15' ' ' LEU . 18.1 Cg_endo -75.04 100.93 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.56 -17.09 64.73 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.463 1.102 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mmt-85 -133.84 126.55 30.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 0.8 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -113.66 24.26 12.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.81 120.88 31.1 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 110.441 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 135.15 18.57 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.455 1.766 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.75 135.72 63.69 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.587 1.179 . . . . 0.0 110.959 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 127.12 10.44 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.461 1.769 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.6 HG21 ' HB3' ' A' ' 181' ' ' TYR . 91.0 t -116.13 127.52 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -40.66 154.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.626 ' C ' HD13 ' A' ' 27' ' ' LEU . 51.1 m -80.65 -45.16 17.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.572 1.17 . . . . 0.0 110.386 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.626 HD13 ' C ' ' A' ' 26' ' ' THR . 0.1 OUTLIER -112.78 148.77 34.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.57 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 20.6 t-80 -56.29 157.42 4.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.588 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.23 -25.91 27.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.948 HG11 ' CD2' ' A' ' 60' ' ' TRP . 45.8 t -95.11 -67.89 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 66' ' ' TYR . 1.4 t30 -56.31 -38.29 71.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.35 14.83 79.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.488 ' CG ' ' N ' ' A' ' 34' ' ' SER . 22.5 t60 -126.96 163.48 23.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.763 . . . . 0.0 109.573 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.488 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -42.72 131.54 3.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.1 ptm -99.59 -14.19 19.09 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.543 1.152 . . . . 0.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.515 HG23 ' N ' ' A' ' 37' ' ' ASN . 8.9 t -96.36 -53.75 3.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.446 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.515 ' N ' HG23 ' A' ' 36' ' ' THR . 2.8 m-20 -55.02 133.4 48.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 1.04 HG21 HD11 ' A' ' 44' ' ' ILE . 78.8 t -122.85 102.86 37.64 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 40' ' ' ASP . 18.1 Cg_endo -75.02 139.68 24.5 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.557 1.82 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 39' ' ' PRO . 38.5 m-20 -40.04 125.39 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.574 1.171 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.26 2.82 29.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.626 1.204 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.3 mmt -114.79 151.57 33.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.578 0.81 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 2.5 mm-40 -135.8 150.17 49.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.344 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 1.04 HD11 HG21 ' A' ' 38' ' ' VAL . 3.7 mt -107.77 152.38 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.41 130.57 15.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 109.366 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.547 HG22 ' HD2' ' A' ' 139' ' ' TYR . 7.3 mt -109.39 138.08 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.499 ' CG ' ' CZ ' ' A' ' 114' ' ' PHE . 23.7 m-85 -149.54 165.03 33.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 111.048 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -133.71 127.84 33.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.573 ' HB3' HG21 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -139.28 158.31 44.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 110.943 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.0 -62.32 3.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.132 . . . . 0.0 111.03 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.669 ' CB ' HG23 ' A' ' 55' ' ' VAL . 1.2 m -62.51 -179.63 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.566 ' CE1' ' HB1' ' A' ' 70' ' ' ALA . 5.0 t80 -145.51 -68.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.839 ' HE1' ' HD1' ' A' ' 186' ' ' HIS . 36.9 m0 -66.26 -34.73 78.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 107.987 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.598 ' H ' HD11 ' A' ' 200' ' ' ILE . . . -78.06 -27.58 57.95 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.669 HG23 ' CB ' ' A' ' 51' ' ' CYS . 28.9 t -69.27 -62.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -38.84 39.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.486 ' CZ ' ' CD ' ' A' ' 61' ' ' GLN . 34.4 ttt85 -75.88 -24.69 55.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.334 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.3 -22.08 57.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.772 ' CE2' HD11 ' A' ' 98' ' ' ILE . 16.7 m-85 -82.65 -56.62 3.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.959 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.948 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -56.36 -55.66 30.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 108.065 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.553 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 3.7 mt-30 -49.22 -22.49 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.329 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.693 HD11 HG21 ' A' ' 113' ' ' VAL . 0.3 OUTLIER -77.11 139.92 65.61 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.07 110.87 3.2 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.547 1.814 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.45 ' HA2' ' CG1' ' A' ' 104' ' ' VAL . . . 131.91 -17.0 4.96 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 38.0 t -90.45 125.97 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 99' ' ' VAL . 4.5 t80 -81.19 -57.19 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.0 p -150.63 162.34 40.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.406 HG21 ' HB2' ' A' ' 59' ' ' PHE . 67.1 p -137.28 160.21 39.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.453 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' CE2' ' A' ' 179' ' ' PHE . . . -147.21 128.58 14.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.566 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -92.29 140.24 29.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.576 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -170.96 -157.34 12.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -140.87 153.65 45.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.781 HG23 ' HB3' ' A' ' 95' ' ' ALA . 3.2 p -147.04 174.53 11.46 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.44 1.087 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.31 -10.91 57.52 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.518 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -88.96 164.35 32.44 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -111.24 -20.85 12.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 22.2 m -74.79 127.39 87.15 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.466 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.3 Cg_endo -75.0 162.14 37.62 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 110.967 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.415 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 2.0 m120 40.44 64.64 4.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.538 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -75.05 129.93 12.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.482 ' O ' HG23 ' A' ' 85' ' ' VAL . 85.2 m -103.02 164.72 11.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.419 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -60.53 -39.03 86.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -45.69 61.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.14 -44.97 94.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 110.35 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 81' ' ' THR . 43.0 t -59.93 -39.84 81.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.2 m -62.18 -24.87 67.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.059 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.6 m -65.33 -38.2 89.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.031 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 82.42 5.63 89.38 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.91 4.21 54.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 0.75 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.6 p -101.02 -17.22 16.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.394 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.54 9.5 55.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.439 1.087 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.538 ' CD2' ' HB3' ' A' ' 80' ' ' PRO . 28.7 m-70 -73.59 150.04 41.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 0.8 . . . . 0.0 109.624 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -123.29 160.89 25.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.88 111.93 10.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 1.08 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.781 ' HB3' HG23 ' A' ' 73' ' ' THR . . . -143.95 162.07 37.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 109.234 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' A' ' 70' ' ' ALA . 8.1 m -149.91 153.49 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.516 ' CG ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -97.34 139.04 33.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.338 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.772 HD11 ' CE2' ' A' ' 59' ' ' PHE . 3.9 mt -129.32 116.18 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.579 HG22 ' CG1' ' A' ' 44' ' ' ILE . 59.5 t -101.6 102.86 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -125.33 169.29 12.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.401 1.063 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.37 131.2 21.91 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.246 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.4 Cg_endo -75.04 -0.68 10.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.535 1.808 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.58 -22.71 18.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.999 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.45 ' CG1' ' HA2' ' A' ' 64' ' ' GLY . 57.6 t -97.85 -46.52 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 102' ' ' PRO . 9.0 tt -129.38 157.46 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 82.6 p -107.78 159.82 16.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 0.0 109.974 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.512 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 32.6 p90 -60.15 -33.28 71.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.512 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 8.4 pt-20 -70.61 -31.05 67.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 110.334 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.414 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 30.6 mt-30 -64.6 -44.33 90.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.1 mt -62.67 -49.55 74.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.56 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 5.8 mt -57.09 -35.32 69.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.388 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -52.91 63.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 110.362 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.693 HG21 HD11 ' A' ' 62' ' ' LEU . 1.9 t -66.61 -44.84 89.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.536 ' CZ ' ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -51.09 -52.24 45.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.41 1.069 . . . . 0.0 110.978 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.567 ' CH2' ' HG ' ' A' ' 153' ' ' LEU . 39.0 m95 -66.98 -19.89 65.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 107.999 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -79.89 -37.96 33.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.241 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -93.86 -3.89 51.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -71.76 158.26 36.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.388 1.055 . . . . 0.0 109.593 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.89 143.41 27.03 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 159.92 40.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.367 1.72 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.464 ' HB3' ' HB3' ' A' ' 167' ' ' ARG . . . -84.82 141.57 30.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -134.2 38.67 3.13 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.54 1.15 . . . . 0.0 110.341 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 75.48 27.9 62.57 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.6 ttt -43.97 98.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 0.807 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -169.11 121.64 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.04 168.43 16.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 110.263 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -81.49 -50.94 4.82 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -91.83 167.37 12.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 0.0 109.337 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -62.64 124.57 21.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.237 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -106.38 -36.01 6.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.637 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 143.06 73.66 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 25.1 p -84.49 -2.51 57.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 0.788 . . . . 0.0 110.405 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -59.43 -36.93 76.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.481 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 34.7 p90 -111.08 125.09 53.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.593 1.183 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 12.5 ptt85 -148.59 172.27 14.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.358 1.036 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.7 m -97.05 117.52 31.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.057 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -146.32 166.53 26.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.486 HG23 ' CE2' ' A' ' 47' ' ' PHE . 5.8 mt -125.08 131.09 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.256 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.547 ' HD2' HG22 ' A' ' 46' ' ' ILE . 44.9 m-85 -127.9 82.95 67.42 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.958 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.882 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.4 Cg_endo -75.04 166.13 29.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.2 8.66 19.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 29.2 p -146.21 161.19 40.18 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -36.74 2.34 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -62.98 -34.25 77.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.339 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -73.2 -36.95 66.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.437 ' OD1' HG22 ' A' ' 173' ' ' ILE . 0.2 OUTLIER -65.65 -44.67 85.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -66.27 -39.19 89.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -68.37 -47.2 68.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 153' ' ' LEU . . . -55.99 -59.44 4.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 109.277 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -58.84 -43.94 90.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -54.37 -44.32 72.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.173 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 42.1 p -78.39 -32.37 48.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 1.038 HD11 ' CG2' ' A' ' 171' ' ' THR . 2.8 tt -59.77 -53.92 52.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 158' ' ' ALA . 12.7 pt-20 -67.1 -41.75 85.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -55.74 -39.41 71.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -79.27 -55.41 5.1 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.563 1.165 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.535 ' CD ' HG21 ' A' ' 169' ' ' ILE . 67.2 mm-40 -57.27 -37.45 72.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 110.265 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 154' ' ' GLU . . . -59.56 -39.7 84.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.48 98.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . . . . . . . . . 11.8 ttp -65.78 -41.25 92.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.544 1.153 . . . . 0.0 111.045 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -30.14 70.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -66.51 -19.14 65.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.241 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -88.15 11.31 16.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.343 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.53 37.09 10.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -95.51 109.17 21.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 168' ' ' HIS . 1.9 p-10 -72.99 -6.09 43.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . 0.464 ' HB3' ' HB3' ' A' ' 121' ' ' ALA . 0.0 OUTLIER -68.46 68.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.505 ' O ' ' CD2' ' A' ' 168' ' ' HIS . 2.2 p-80 -68.46 120.75 15.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.581 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.535 HG21 ' CD ' ' A' ' 157' ' ' GLN . 0.1 OUTLIER -66.73 142.27 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 62.7 m -108.94 51.68 0.74 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 110.417 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 1.038 ' CG2' HD11 ' A' ' 153' ' ' LEU . 3.6 t -91.56 136.34 33.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.093 . . . . 0.0 110.433 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . 0.431 ' CD ' ' HZ1' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -120.33 139.34 52.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.583 HD11 HD12 ' A' ' 153' ' ' LEU . 10.6 mt -114.09 122.87 69.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -135.49 161.67 34.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -44.87 162.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.247 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.882 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -73.6 87.07 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.334 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . 0.43 ' O ' HD13 ' A' ' 46' ' ' ILE . 27.9 p -59.1 164.2 4.89 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.378 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -74.98 112.9 3.67 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.544 1.813 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -76.62 136.82 39.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 181' ' ' TYR . 0.5 OUTLIER -112.08 106.42 15.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.6 ' HB3' HG21 ' A' ' 24' ' ' VAL . 36.1 m-85 -38.38 158.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.576 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -122.67 175.67 6.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 182' ' ' ALA . 0.0 OUTLIER -37.25 140.01 0.21 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -60.37 -24.65 65.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.56 -42.02 95.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . 0.839 ' HD1' ' HE1' ' A' ' 53' ' ' TRP . 79.5 m-70 -63.14 -43.46 98.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.092 . . . . 0.0 109.597 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -47.85 108.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.568 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 11.6 mp0 53.32 58.45 5.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.238 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.409 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 8.7 t80 -86.28 -27.94 24.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.679 HD11 ' O ' ' A' ' 196' ' ' GLY . 0.1 OUTLIER -76.49 -47.05 24.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.401 1.063 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.806 ' ND1' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -58.9 -28.73 66.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.673 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -32.11 73.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.9 OUTLIER -138.98 109.3 7.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.223 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 0.53 8.83 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.593 1.838 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -97.65 27.11 4.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . 0.679 ' O ' HD11 ' A' ' 190' ' ' LEU . . . -129.12 84.19 0.32 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.468 1.105 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 198' ' ' CYS . 1.4 m-85 -53.81 160.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.795 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.53 ' O ' HD12 ' A' ' 200' ' ' ILE . 13.3 t -40.69 -45.64 2.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 108.249 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -43.73 93.39 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.452 1.095 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.598 HD11 ' H ' ' A' ' 54' ' ' GLY . 4.1 mt -104.73 110.31 30.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -59.32 -108.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 164.5 -135.27 3.67 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.7 pp -119.61 173.15 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -76.75 -104.48 0.15 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.442 1.089 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 28.0 m -119.06 124.56 73.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 109.269 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 11.6 t -122.43 93.49 3.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 32.2 mt -84.27 136.51 40.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 170.9 19.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.474 1.776 . . . . 0.0 111.037 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 175.91 10.63 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.527 1.804 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -149.12 -61.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 110.289 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.48 HD13 ' HA ' ' A' ' 2' ' ' LEU . 0.5 OUTLIER -74.47 114.66 13.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -79.36 51.17 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.404 1.065 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -152.44 87.6 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.369 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -109.84 169.17 8.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -66.33 95.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -148.78 150.22 32.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.512 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.423 HD12 ' HA2' ' A' ' 91' ' ' GLY . 2.5 mm? -114.9 -172.29 2.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.1 p -63.2 144.94 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.61 165.16 48.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.951 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -37.58 2.0 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.781 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.97 -23.17 55.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.8 -37.44 20.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.17 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.83 164.65 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 109.316 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.8 mt -100.01 152.41 37.81 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 103.13 1.68 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.448 1.762 . . . . 0.0 111.023 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.468 ' CA ' HG23 ' A' ' 77' ' ' THR . . . -51.77 -174.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -120.79 168.92 10.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 110.252 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -104.19 36.27 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.4 p -124.97 99.47 34.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.394 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 139.26 24.07 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.597 1.84 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.4 mtp -71.1 146.97 93.3 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 137.92 22.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.529 1.805 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.754 HG21 ' HB3' ' A' ' 181' ' ' TYR . 70.1 t -128.82 139.18 52.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.06 152.63 1.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.353 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.888 ' C ' HD13 ' A' ' 27' ' ' LEU . 17.5 m -79.04 -44.5 22.07 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.474 1.109 . . . . 0.0 110.379 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.888 HD13 ' C ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -111.2 142.12 43.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.567 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 16.3 t-80 -50.52 156.44 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.642 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 188' ' ' GLN . . . -85.05 -25.76 27.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.963 HG11 ' CD2' ' A' ' 60' ' ' TRP . 56.0 t -95.26 -67.06 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -56.27 -38.0 70.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.96 17.03 75.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.546 1.154 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.488 ' CG ' ' N ' ' A' ' 34' ' ' SER . 25.4 t60 -132.06 163.36 28.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 0.774 . . . . 0.0 109.601 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.488 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 19.0 t -46.7 131.71 11.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.18 -29.15 13.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.957 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 t -75.81 -34.7 60.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.068 . . . . 0.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -64.29 130.64 44.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.576 ' CG2' HD11 ' A' ' 44' ' ' ILE . 77.8 t -116.9 104.56 50.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 40' ' ' ASP . 18.4 Cg_endo -75.01 133.43 16.57 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.546 1.814 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' PRO . 0.5 OUTLIER -39.99 122.64 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.41 ' O ' ' OD1' ' A' ' 101' ' ' ASP . . . 104.56 -5.68 44.35 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.469 1.106 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.5 ' HE2' ' OD1' ' A' ' 101' ' ' ASP . 31.2 tpp -97.2 140.54 31.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 0.731 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -126.64 154.85 43.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.723 HG12 HG22 ' A' ' 99' ' ' VAL . 3.2 mt -114.96 147.85 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.84 129.88 33.07 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.478 HG23 ' CE1' ' A' ' 179' ' ' PHE . 21.1 mt -103.09 125.94 57.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.597 ' HE1' HG23 ' A' ' 138' ' ' ILE . 34.2 m-85 -141.35 164.12 31.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.959 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -143.94 126.94 16.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.768 ' HB2' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -136.23 -172.53 3.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 111.02 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' PHE . . . -61.68 -100.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.508 ' O ' HG23 ' A' ' 55' ' ' VAL . 76.9 m -65.57 78.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' A' ' 53' ' ' TRP . 32.6 p90 -46.09 -42.29 13.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 110.982 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.64 ' N ' ' CD1' ' A' ' 52' ' ' PHE . 1.7 m0 -54.9 -43.32 73.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 107.985 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.471 ' HA3' ' CA ' ' A' ' 199' ' ' GLY . . . -72.88 -42.46 45.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.787 HG12 ' CE2' ' A' ' 59' ' ' PHE . 47.1 t -56.98 -48.02 82.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 0.767 . . . . 0.0 109.323 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -41.75 84.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.452 ' NH1' ' OE1' ' A' ' 61' ' ' GLN . 44.7 ttt-85 -68.22 -54.72 15.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -23.11 41.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.787 ' CE2' HG12 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -75.94 -65.29 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 111.066 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.963 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -57.84 -51.28 70.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 108.024 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.581 ' HG2' ' CZ2' ' A' ' 60' ' ' TRP . 25.9 mt-30 -48.79 -22.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.644 HD23 ' HD2' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -73.22 144.06 84.06 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.644 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.2 Cg_endo -75.08 116.02 4.45 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.485 1.782 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.6 -20.99 6.41 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.436 1.085 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.626 HG21 ' O ' ' A' ' 59' ' ' PHE . 65.1 t -81.73 116.01 25.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.423 0.72 . . . . 0.0 109.308 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.437 ' N ' ' O ' ' A' ' 99' ' ' VAL . 1.9 t80 -75.12 -49.85 18.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.398 1.061 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.7 m -158.62 164.1 36.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.451 HG22 ' HA ' ' A' ' 98' ' ' ILE . 70.9 p -143.86 157.43 44.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.379 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -135.07 160.03 39.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -122.12 116.4 24.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.361 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -142.46 -163.33 9.63 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.437 1.086 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -125.45 157.57 36.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 0.737 . . . . 0.0 110.961 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.2 t -160.13 160.76 33.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.595 1.184 . . . . 0.0 110.403 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.33 -11.03 73.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.48 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -88.33 168.02 36.32 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -108.98 -23.0 11.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.468 HG23 ' CA ' ' A' ' 17' ' ' GLY . 4.0 m -75.07 123.27 88.79 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 154.73 43.21 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.411 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 6.9 m120 48.77 64.81 8.02 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.441 1.088 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.56 ' HB3' ' CD2' ' A' ' 92' ' ' HIS . 18.5 Cg_endo -74.94 141.3 26.65 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.556 1.819 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.5 m -110.99 162.82 14.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.376 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -55.04 -48.48 73.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.89 -31.24 66.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.431 ' OE1' ' HA ' ' A' ' 80' ' ' PRO . 2.5 tt0 -63.35 -43.03 98.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 56.9 t -68.47 -41.72 83.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 t -54.8 -24.32 22.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.054 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -39.16 78.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.41 10.41 85.37 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -100.03 8.33 44.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.744 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.8 p -104.35 -17.46 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.423 ' HA2' HD12 ' A' ' 8' ' ' LEU . . . 68.9 16.82 70.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 111.034 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.56 ' CD2' ' HB3' ' A' ' 80' ' ' PRO . 40.4 m-70 -82.19 155.45 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.549 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -129.26 153.13 48.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.495 ' OE1' ' CG ' ' A' ' 52' ' ' PHE . 5.0 mm-40 -72.45 123.67 23.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.322 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.417 ' CB ' ' CZ ' ' A' ' 179' ' ' PHE . . . -144.07 160.61 40.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.515 HG23 HD11 ' A' ' 98' ' ' ILE . 23.4 m -134.32 147.66 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.812 ' C ' HD12 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -97.49 145.41 26.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.812 HD12 ' C ' ' A' ' 97' ' ' ARG . 3.7 mp -133.32 129.65 56.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.723 HG22 HG12 ' A' ' 44' ' ' ILE . 26.4 t -125.54 106.68 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.185 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.706 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 39.7 p90 -133.62 179.98 5.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.5 ' OD1' ' HE2' ' A' ' 42' ' ' MET . 7.6 m-20 -113.41 135.19 21.84 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.99 0.51 8.81 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.517 1.799 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.3 t -92.12 -16.3 26.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 0.0 109.98 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 72.7 t -115.99 -47.0 4.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.425 1.078 . . . . 0.0 109.292 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.793 HD13 ' N ' ' A' ' 106' ' ' SER . 0.2 OUTLIER -127.49 130.94 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.793 ' N ' HD13 ' A' ' 105' ' ' ILE . 6.6 p -95.75 157.98 15.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.923 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.464 ' CB ' ' HG2' ' A' ' 145' ' ' GLN . 45.9 p90 -66.52 -36.21 82.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.456 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.4 tt0 -55.12 -39.94 69.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.251 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.448 ' HB2' HD11 ' A' ' 105' ' ' ILE . 32.7 mt-30 -72.13 -40.03 68.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.47 1.106 . . . . 0.0 110.268 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.706 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 31.5 mt -55.85 -43.18 76.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.547 ' O ' ' CD2' ' A' ' 115' ' ' TRP . 12.4 mt -65.56 -33.61 76.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.486 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 16.3 tt0 -58.0 -50.91 71.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.456 1.098 . . . . 0.0 110.317 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.88 -33.48 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 118' ' ' HIS . 5.8 t80 -53.66 -48.71 69.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 110.99 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.56 ' CZ2' ' HB2' ' A' ' 152' ' ' SER . 1.2 m0 -66.47 -20.26 66.0 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -80.46 -38.08 30.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 110.262 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.468 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 4.9 t-20 -92.71 -9.01 42.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.598 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 42.6 t-80 -70.84 162.04 29.92 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.591 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.598 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 55.4 m-20 -103.73 136.55 19.19 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 159.81 40.72 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.52 ' HB2' ' HA ' ' A' ' 169' ' ' ILE . . . -85.35 126.96 34.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -134.28 40.27 3.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 81.43 29.77 39.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.576 1.173 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.0 104.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -92.73 156.99 16.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -108.92 167.94 9.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 109.9 -94.72 0.82 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.57 1.169 . . . . 0.0 111.05 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.55 164.05 4.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 0.733 . . . . 0.0 109.297 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.32 105.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.393 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.93 65.22 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.587 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 66.78 29.97 75.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 3.3 p -73.54 -24.45 60.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 110.344 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -68.66 -49.6 57.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.361 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.506 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 19.8 p90 -112.83 128.37 56.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -132.12 173.14 11.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.4 m -103.87 122.15 44.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.976 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.459 ' HB2' ' HG2' ' A' ' 172' ' ' GLU . . . -156.19 150.1 25.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.761 HG22 ' HD3' ' A' ' 140' ' ' PRO . 55.9 mt -112.99 130.74 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -130.19 78.23 74.96 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.761 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.1 Cg_endo -75.0 166.71 28.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' A' ' 176' ' ' ALA . 8.2 tp -112.4 -40.15 4.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.434 ' OG1' ' CG ' ' A' ' 145' ' ' GLN . 68.7 p -84.27 162.27 51.98 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -33.75 4.29 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.498 1.788 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -64.91 -49.78 69.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.464 ' HG2' ' CB ' ' A' ' 107' ' ' TYR . 86.9 mt-30 -54.84 -46.47 74.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.31 -48.38 79.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.57 92.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -67.27 -47.14 71.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.26 -55.2 36.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.242 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -40.61 95.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -57.47 -37.47 72.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.428 1.08 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.56 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 10.2 p -74.52 -41.71 60.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.998 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.736 ' C ' HD23 ' A' ' 153' ' ' LEU . 3.2 tt -63.15 -50.83 68.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.158 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -56.65 -37.34 70.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.362 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 159' ' ' ALA . 0.0 OUTLIER -75.65 -55.16 5.92 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.475 ' CD1' HG21 ' A' ' 169' ' ' ILE . 8.0 t80 -45.7 -46.61 14.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.46 ' O ' ' CG ' ' A' ' 160' ' ' MET . 1.3 tt0 -61.48 -42.49 98.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.27 -31.45 67.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.243 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 155' ' ' ARG . . . -62.99 -48.81 77.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.214 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.508 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 7.6 ptm -68.09 -32.91 73.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.508 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -65.99 -41.08 91.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.06 -23.04 67.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.417 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -83.71 -6.18 59.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 8.0 t0 75.67 34.06 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -101.76 121.64 42.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 109.363 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.08 15.73 8.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -91.09 84.61 5.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.569 ' CE1' ' O ' ' A' ' 169' ' ' ILE . 0.1 OUTLIER -61.6 136.59 58.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.605 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.85 HG13 HG22 ' A' ' 171' ' ' THR . 6.3 pt -69.15 140.79 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.073 . . . . 0.0 109.348 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 8.8 t -96.86 36.2 1.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.402 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.85 HG22 HG13 ' A' ' 169' ' ' ILE . 2.1 t -92.65 128.09 38.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . 0.459 ' HG2' ' HB2' ' A' ' 137' ' ' ALA . 10.3 pt-20 -119.1 139.41 51.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 4.9 mt -124.8 127.64 72.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -149.89 171.21 17.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.367 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -43.2 164.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -84.26 87.56 7.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . 0.483 ' HB ' ' HD2' ' A' ' 178' ' ' PRO . 25.2 p -59.14 165.38 3.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.393 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . 0.483 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.3 Cg_endo -74.96 118.44 5.27 Favored 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.478 ' CE1' HG23 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -76.54 145.62 38.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.959 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . 0.463 ' O ' ' C ' ' A' ' 181' ' ' TYR . 17.2 m-85 -118.68 91.29 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 111.071 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.754 ' HB3' HG21 ' A' ' 24' ' ' VAL . 14.0 m-85 -32.85 139.67 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -100.01 175.53 5.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -47.31 137.92 7.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.19 -23.43 62.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.3 -41.8 98.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 -78.68 -28.15 45.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.64 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 0.458 ' HA ' ' NE2' ' A' ' 187' ' ' GLN . 12.7 tp60 -55.54 111.93 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.567 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 3.5 mp0 48.03 55.81 8.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.348 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.454 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 1.9 t80 -85.65 -45.91 11.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 12.8 tp -63.04 -41.27 99.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.485 ' CD2' ' N ' ' A' ' 191' ' ' HIS . 0.7 OUTLIER -57.71 -28.86 64.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.519 1.137 . . . . 0.0 109.691 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.41 -44.3 62.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -140.08 115.56 7.87 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.181 . . . . 0.0 109.254 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.63 8.67 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -90.85 28.74 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.602 1.188 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -99.84 -179.55 30.48 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . 0.416 ' O ' ' C ' ' A' ' 198' ' ' CYS . 1.3 m-85 -49.09 160.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 0.792 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.416 ' C ' ' O ' ' A' ' 197' ' ' TYR . 0.7 OUTLIER -40.41 136.82 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 108.243 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . 0.471 ' CA ' ' HA3' ' A' ' 54' ' ' GLY . . . -152.4 47.27 0.56 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.428 1.08 . . . . 0.0 111.056 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' A' ' 200' ' ' ILE . 8.0 tp -170.02 -44.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.471 0.747 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 175.35 -133.21 2.36 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 44.01 76.02 0.14 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 2.1 tt -64.12 -23.05 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.25 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 43.7 -101.68 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.437 1.086 . . . . 0.0 111.069 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 17.4 m -138.46 131.43 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.362 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.47 139.79 30.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.007 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.505 HD22 ' N ' ' A' ' 207' ' ' LEU . 1.5 mm? -69.98 146.43 95.13 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 151.52 39.71 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.465 1.771 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.77 35.75 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.427 1.751 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -54.64 -58.58 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.1 p . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp -73.02 157.29 37.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -78.11 89.43 4.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -159.18 124.45 4.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.43 88.7 2.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.39 143.61 33.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.22 74.01 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.613 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mp -123.2 160.72 25.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 109.344 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.2 p -59.63 149.66 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.26 163.38 48.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -34.22 3.94 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.456 1.766 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.21 -24.98 65.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.63 1.206 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.91 -39.99 10.39 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.48 1.112 . . . . 0.0 109.359 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.56 98.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 16' ' ' PRO . 1.4 pp -75.94 153.74 84.84 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.449 ' O ' HD12 ' A' ' 15' ' ' LEU . 18.2 Cg_endo -75.05 139.2 23.87 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -105.09 -104.13 2.92 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.122 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -90.37 145.3 25.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 110.306 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -109.39 18.08 20.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.3 p -126.89 146.25 56.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.555 1.159 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 152.25 40.43 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.578 1.831 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.737 ' HE1' HG23 ' A' ' 81' ' ' THR . 0.2 OUTLIER -82.33 145.81 52.87 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 125.88 9.52 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.507 1.793 . . . . 0.0 110.952 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.453 HG21 ' CB ' ' A' ' 181' ' ' TYR . 2.9 t -123.75 137.24 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.13 159.9 27.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.75 HG22 HD13 ' A' ' 27' ' ' LEU . 3.0 m -82.89 -45.2 14.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 110.377 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.75 HD13 HG22 ' A' ' 26' ' ' THR . 0.1 OUTLIER -109.47 145.72 35.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.377 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.467 ' CD2' ' H ' ' A' ' 68' ' ' THR . 36.8 t-80 -54.62 164.76 0.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.643 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.472 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -84.92 -33.13 22.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.442 ' HB ' ' CE1' ' A' ' 28' ' ' HIS . 75.3 t -95.12 -63.15 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.162 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -55.84 -39.66 71.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.02 22.85 78.79 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.104 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.528 ' CG ' ' N ' ' A' ' 34' ' ' SER . 23.5 t60 -129.48 166.99 18.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 0.746 . . . . 0.0 109.619 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.528 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -41.88 141.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.434 ' CE ' ' HB2' ' A' ' 69' ' ' ALA . 2.8 mtp -98.08 -64.95 0.99 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.158 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.465 HG23 ' N ' ' A' ' 37' ' ' ASN . 15.2 t -55.25 -51.57 66.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 110.364 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.465 ' N ' HG23 ' A' ' 36' ' ' THR . 0.4 OUTLIER -55.02 131.84 45.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.812 HG22 HG11 ' A' ' 99' ' ' VAL . 3.4 t -125.86 133.01 24.5 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.405 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.1 Cg_endo -75.01 143.92 29.61 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.35 121.96 12.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.18 4.65 29.06 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.562 1.164 . . . . 0.0 111.022 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.597 ' HB3' HG13 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -109.38 165.66 11.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 111.034 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.7 158.51 43.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.737 ' CG1' HG22 ' A' ' 99' ' ' VAL . 2.6 mp -109.86 151.37 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.487 ' HB1' ' CZ ' ' A' ' 47' ' ' PHE . . . -140.52 131.26 25.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.228 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.893 HG21 ' CE2' ' A' ' 179' ' ' PHE . 97.3 mt -113.58 138.77 42.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.487 ' CZ ' ' HB1' ' A' ' 45' ' ' ALA . 49.0 m-85 -150.97 165.07 34.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 110.972 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -142.73 127.46 18.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.575 ' HB2' HG21 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -135.45 -174.53 3.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.404 ' O ' ' OE1' ' A' ' 94' ' ' GLU . . . -64.9 -90.12 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.14 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.889 ' O ' HG23 ' A' ' 55' ' ' VAL . 56.4 m -70.8 76.59 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.49 ' CG ' ' N ' ' A' ' 53' ' ' TRP . 49.7 p90 -51.53 -44.39 62.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.804 ' CH2' ' CD2' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -55.66 -44.82 77.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 107.975 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.487 ' HA3' ' CA ' ' A' ' 199' ' ' GLY . . . -74.67 -27.82 64.38 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.889 HG23 ' O ' ' A' ' 51' ' ' CYS . 62.1 t -75.81 -54.48 13.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.564 0.802 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.537 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 15.7 pt-20 -48.38 -37.76 17.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.246 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.543 ' HA ' ' CE2' ' A' ' 60' ' ' TRP . 0.4 OUTLIER -77.37 -26.56 52.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.342 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.78 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -76.7 -32.3 57.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.388 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.522 ' CG ' HG12 ' A' ' 98' ' ' ILE . 2.9 m-85 -66.11 -64.48 0.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 111.078 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.543 ' CE2' ' HA ' ' A' ' 57' ' ' ARG . 0.7 OUTLIER -56.88 -21.17 27.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.143 . . . . 0.0 108.052 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.51 -21.09 62.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.331 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.891 HD22 HD23 ' A' ' 110' ' ' LEU . 0.5 OUTLIER -71.62 137.13 83.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 109.88 3.01 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.428 1.751 . . . . 0.0 111.047 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 131.27 -15.02 5.34 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.454 1.097 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.421 HG11 ' CG2' ' A' ' 68' ' ' THR . 47.7 t -78.86 124.54 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.56 0.8 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.432 ' N ' ' O ' ' A' ' 99' ' ' VAL . 1.3 t80 -74.99 -54.66 6.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.2 m -161.97 152.72 17.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.467 ' H ' ' CD2' ' A' ' 28' ' ' HIS . 24.6 p -136.6 156.07 49.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.584 ' HB3' ' HD3' ' A' ' 97' ' ' ARG . . . -147.05 156.18 42.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.623 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -99.26 138.46 36.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -147.14 -177.88 22.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.416 1.072 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -123.75 153.91 40.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 0.717 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.968 HG21 ' CZ ' ' A' ' 179' ' ' PHE . 3.8 t -160.02 160.17 32.94 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 0.0 110.385 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.85 -22.99 38.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.587 1.179 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.565 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -90.55 177.9 42.46 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -117.05 -18.47 10.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 20.1 m -73.72 123.08 89.02 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 110.34 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -74.97 155.44 43.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.556 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 17.9 m-80 39.33 56.91 6.22 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.628 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.5 Cg_endo -74.97 140.31 25.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.791 ' O ' HG23 ' A' ' 85' ' ' VAL . 5.1 m -93.36 151.38 19.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -50.88 -50.9 56.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -44.67 82.72 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 0.0 110.299 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 87' ' ' SER . 35.0 mt-10 -73.06 -25.41 60.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 81' ' ' THR . 42.4 t -72.9 -48.4 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.1 t -60.67 -25.78 66.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.981 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.416 ' HB3' ' O ' ' A' ' 84' ' ' GLU . 40.7 t -54.51 -40.46 68.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.431 ' CA ' ' NE2' ' A' ' 133' ' ' GLN . . . 80.41 16.94 74.86 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.401 1.063 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -98.59 -3.01 37.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.49 -29.8 10.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 93.82 -14.43 65.31 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.628 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 40.6 m-70 -59.17 148.22 32.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 0.75 . . . . 0.0 109.579 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -124.88 158.13 34.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.404 ' OE1' ' O ' ' A' ' 50' ' ' GLY . 0.1 OUTLIER -70.42 123.09 20.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.294 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -146.07 158.6 43.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' A' ' 70' ' ' ALA . 17.0 m -138.49 151.58 24.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.631 ' C ' HD12 ' A' ' 98' ' ' ILE . 6.6 ptm180 -109.74 145.43 36.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.631 HD12 ' C ' ' A' ' 97' ' ' ARG . 4.4 mp -132.17 134.06 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.812 HG11 HG22 ' A' ' 38' ' ' VAL . 58.2 t -121.33 106.74 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.703 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 27.4 p90 -129.03 177.28 7.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.84 134.9 20.51 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.427 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.0 Cg_endo -75.08 1.56 7.64 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.45 -17.72 17.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.979 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.0 t -110.38 -41.96 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.57 HG23 ' CD1' ' A' ' 100' ' ' TYR . 1.0 OUTLIER -133.33 139.92 48.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.401 ' N ' HG13 ' A' ' 105' ' ' ILE . 9.4 p -96.84 159.25 15.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.031 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 20.3 p90 -66.34 -33.29 75.41 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.563 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -60.36 -36.11 77.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 110.247 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -64.84 -44.29 90.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.448 1.093 . . . . 0.0 110.283 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.891 HD23 HD22 ' A' ' 62' ' ' LEU . 23.0 mt -61.39 -45.26 95.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.547 ' O ' ' CD2' ' A' ' 115' ' ' TRP . 3.3 mt -71.88 -33.09 68.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.554 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 44.2 tt0 -59.01 -49.84 76.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.747 HG22 HD21 ' A' ' 117' ' ' ASN . 0.5 OUTLIER -72.76 -34.58 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 118' ' ' HIS . 13.3 t80 -53.97 -47.46 71.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.643 ' CZ2' ' CB ' ' A' ' 152' ' ' SER . 1.0 OUTLIER -66.61 -18.46 65.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 108.013 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -87.95 -28.73 21.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.747 HD21 HG22 ' A' ' 113' ' ' VAL . 61.5 m-80 -105.27 5.38 31.98 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 114' ' ' PHE . 24.4 t60 -84.74 152.98 23.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.54 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -105.11 146.73 33.26 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -172.09 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.456 1.766 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 167' ' ' ARG . . . -81.82 123.77 29.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.81 49.77 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -42.29 148.07 0.53 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.9 ptt? -152.45 168.98 23.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.412 0.713 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.27 133.69 48.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.51 ' HB2' ' CE1' ' A' ' 130' ' ' HIS . 0.1 OUTLIER -126.55 167.96 14.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.221 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -110.47 -71.82 0.67 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.541 1.15 . . . . 0.0 111.015 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -86.25 161.03 18.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.597 0.822 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.13 110.41 7.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.51 ' CE1' ' HB2' ' A' ' 126' ' ' GLN . 0.6 OUTLIER -130.2 169.6 15.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.564 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.407 ' O ' ' OE1' ' A' ' 133' ' ' GLN . . . -151.92 122.01 1.27 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.64 ' O ' ' CE1' ' A' ' 134' ' ' TYR . 4.1 p -85.69 -14.29 45.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 0.804 . . . . 0.0 110.426 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.431 ' NE2' ' CA ' ' A' ' 88' ' ' GLY . 28.1 mp0 61.46 35.54 17.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.225 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.64 ' CE1' ' O ' ' A' ' 132' ' ' THR . 9.0 m-85 -126.32 56.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.95 108.82 20.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 72.6 m -59.99 130.81 48.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.498 ' HB3' ' CE1' ' A' ' 139' ' ' TYR . . . -148.45 161.33 41.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.649 HG22 ' HD3' ' A' ' 140' ' ' PRO . 36.8 mt -124.65 127.69 72.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.498 ' CE1' ' HB3' ' A' ' 137' ' ' ALA . 53.1 m-85 -130.57 81.82 66.69 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.649 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.2 Cg_endo -75.01 163.64 34.93 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.558 1.82 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.802 HD22 ' HB3' ' A' ' 176' ' ' ALA . 0.2 OUTLIER -97.28 -54.27 3.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 10.4 p -79.56 163.0 61.09 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -36.34 2.67 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.508 1.794 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.32 -37.7 75.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -72.4 -38.5 68.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.88 -52.57 59.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -58.79 -43.61 90.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -66.31 -43.25 86.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.04 -58.86 6.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.238 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -61.68 -32.47 72.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -63.07 -47.85 81.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.643 ' CB ' ' CZ2' ' A' ' 115' ' ' TRP . 51.9 p -75.01 -34.09 61.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.832 HD11 HG23 ' A' ' 171' ' ' THR . 5.1 tt -64.49 -50.3 68.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -59.03 -46.93 86.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -55.11 39.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -53.35 -45.15 69.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -61.24 -40.75 95.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.341 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.48 -46.22 67.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -56.6 -41.74 77.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.403 ' HE2' ' HB3' ' A' ' 160' ' ' MET . 0.7 OUTLIER -62.99 -43.0 100.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.728 HD23 ' NE2' ' A' ' 168' ' ' HIS . 0.2 OUTLIER -66.05 -33.41 75.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 109.38 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.18 -21.91 66.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -78.15 -5.34 51.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 3.3 t0 78.71 21.77 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -91.2 116.16 28.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.05 54.96 3.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . 0.419 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 13.5 mtt180 -146.9 87.34 1.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.728 ' NE2' HD23 ' A' ' 161' ' ' LEU . 12.7 m170 -72.44 150.36 43.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.617 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.27 142.29 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 86.6 m -87.53 50.46 2.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.832 HG23 HD11 ' A' ' 153' ' ' LEU . 8.0 t -95.3 124.33 39.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.448 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.18 153.65 38.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.528 HD11 HD13 ' A' ' 153' ' ' LEU . 20.0 mt -119.56 129.3 75.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -141.08 167.12 22.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -52.18 163.61 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.802 ' HB3' HD22 ' A' ' 141' ' ' LEU . . . -89.61 67.75 7.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . 0.465 HG22 ' CE1' ' A' ' 179' ' ' PHE . 0.5 OUTLIER -59.98 163.29 8.01 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 110.353 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 108.79 2.8 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.504 1.791 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.968 ' CZ ' HG21 ' A' ' 73' ' ' THR . 5.9 m-30 -86.48 146.94 26.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . 0.412 ' O ' ' O ' ' A' ' 181' ' ' TYR . 41.5 m-85 -88.73 114.73 25.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.453 ' CB ' HG21 ' A' ' 24' ' ' VAL . 30.8 m-85 -42.71 167.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 1.012 ' HB1' ' NE2' ' A' ' 186' ' ' HIS . . . -112.95 164.62 13.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.57 128.43 35.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 110.229 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -51.9 -21.02 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.86 -39.71 65.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . 1.012 ' NE2' ' HB1' ' A' ' 182' ' ' ALA . 11.3 p80 -113.27 -22.87 10.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.63 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 0.476 ' C ' ' CG ' ' A' ' 188' ' ' GLN . 0.0 OUTLIER -64.48 130.52 44.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 110.226 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.476 ' CG ' ' C ' ' A' ' 187' ' ' GLN . 1.1 pt20 43.71 40.16 2.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.804 ' CD2' ' CH2' ' A' ' 53' ' ' TRP . 57.2 t80 -83.35 -24.11 32.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.58 HD11 ' HA3' ' A' ' 196' ' ' GLY . 0.4 OUTLIER -58.01 -37.47 74.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.472 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -56.38 -29.94 62.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.13 -41.15 64.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.601 ' OD1' ' CE2' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -137.97 121.52 11.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 -2.96 13.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 111.05 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -89.98 24.28 2.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . 0.58 ' HA3' HD11 ' A' ' 190' ' ' LEU . . . -60.65 -178.24 2.04 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.553 1.158 . . . . 0.0 111.037 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . 0.469 ' O ' ' C ' ' A' ' 198' ' ' CYS . 3.0 m-85 -48.57 161.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 0.722 . . . . 0.0 111.027 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.469 ' C ' ' O ' ' A' ' 197' ' ' TYR . 0.8 OUTLIER -36.48 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.297 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . 0.487 ' CA ' ' HA3' ' A' ' 54' ' ' GLY . . . 105.2 -20.17 38.52 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.502 ' CD1' ' OD1' ' A' ' 117' ' ' ASN . 51.1 mm -119.78 -46.78 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 0.781 . . . . 0.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -44.54 -41.4 6.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 100.88 -111.23 4.1 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 204' ' ' GLY . 1.2 tp -66.31 142.69 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . 0.423 ' N ' HG13 ' A' ' 203' ' ' ILE . . . -107.79 -114.58 3.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 19.5 m -109.55 129.33 64.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.585 0.814 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 68.6 m -66.97 169.73 7.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.977 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 10.7 mt -103.35 148.83 36.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 209' ' ' PRO . 18.4 Cg_endo -74.96 156.22 43.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.459 1.768 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 208' ' ' PRO . 18.5 Cg_endo -74.95 -178.83 4.43 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.569 1.826 . . . . 0.0 111.05 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 210' ' ' GLU . 0.0 OUTLIER -152.1 49.19 0.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.1 p . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 mt -79.36 71.92 5.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.129 . . . . 0.0 109.365 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -160.12 107.74 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.0 86.54 0.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.354 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.538 ' HA ' ' CE1' ' A' ' 7' ' ' HIS . 0.1 OUTLIER -154.02 61.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.349 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.45 63.73 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.538 ' CE1' ' HA ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -142.86 72.68 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.598 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.17 155.29 36.42 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.453 1.095 . . . . 0.0 109.251 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.7 p -77.58 149.69 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.214 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.08 164.57 54.12 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.406 ' HB3' ' CD2' ' A' ' 76' ' ' TYR . 18.4 Cg_endo -75.08 -23.67 13.45 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.545 1.813 . . . . 0.0 111.031 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.99 -25.76 60.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -86.82 -38.79 16.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.91 110.4 5.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.496 ' O ' HG23 ' A' ' 77' ' ' THR . 0.3 OUTLIER -99.97 158.75 31.49 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 103.66 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.515 1.797 . . . . 0.0 111.018 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.96 -90.94 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -94.53 147.04 23.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.273 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -87.61 -44.71 11.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.415 1.072 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 55.5 m -87.19 137.28 32.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 110.348 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 20' ' ' THR . 18.4 Cg_endo -74.97 154.87 42.97 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.512 1.796 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.18 152.86 84.26 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 148.32 34.97 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.452 1.764 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.502 HG21 ' CG ' ' A' ' 181' ' ' TYR . 21.8 t -134.22 154.18 37.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.62 163.74 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.364 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.5 m -88.94 -31.18 18.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.379 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 pp -149.92 145.62 26.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.458 ' CD2' ' H ' ' A' ' 68' ' ' THR . 12.3 t-80 -40.76 149.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.583 1.177 . . . . 0.0 109.628 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.467 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -84.78 -33.55 22.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.662 HG21 ' CE2' ' A' ' 60' ' ' TRP . 48.9 t -83.68 -69.8 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -51.45 -39.81 58.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.11 33.74 39.68 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -148.61 165.44 31.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.756 . . . . 0.0 109.642 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.1 m -55.76 132.58 49.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.087 . . . . 0.0 109.943 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.729 ' SD ' ' HB2' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -98.24 -4.52 35.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.435 HG22 ' OH ' ' A' ' 181' ' ' TYR . 57.5 p -92.2 -42.97 9.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -56.26 131.19 47.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.371 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.488 HG21 HD11 ' A' ' 44' ' ' ILE . 54.9 t -118.81 99.49 51.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 137.23 21.54 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.034 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.74 123.98 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.16 0.01 44.33 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.455 ' HG3' HG13 ' A' ' 99' ' ' VAL . 40.4 tpp -107.33 143.02 36.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 1.9 pt-20 -132.26 163.2 29.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.82 ' CG1' HG22 ' A' ' 99' ' ' VAL . 3.1 mt -114.17 151.47 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -142.74 131.59 22.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.478 HG22 ' HB2' ' A' ' 139' ' ' TYR . 6.3 mt -109.58 127.85 66.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -141.74 164.72 29.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -155.39 134.11 11.97 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.453 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -150.38 -174.74 4.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 0.0 111.027 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -38.11 -84.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.625 ' HB3' HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -59.78 178.69 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.601 ' CZ ' ' HB1' ' A' ' 70' ' ' ALA . 5.5 t80 -150.47 -48.81 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 111.048 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.664 ' HB3' HD23 ' A' ' 190' ' ' LEU . 1.8 m0 -71.16 -46.6 61.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 108.018 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.15 -36.62 92.1 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.756 ' HA ' HD23 ' A' ' 58' ' ' LEU . 99.3 t -60.67 -54.6 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.495 ' O ' ' CE3' ' A' ' 60' ' ' TRP . 29.5 tt0 -49.64 -36.53 24.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.082 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.541 ' HA ' ' CE3' ' A' ' 60' ' ' TRP . 5.4 ttp180 -78.54 -46.37 19.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.756 HD23 ' HA ' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -61.83 -26.77 68.32 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.434 1.084 . . . . 0.0 109.253 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.781 ' CE2' HD11 ' A' ' 98' ' ' ILE . 0.3 OUTLIER -70.71 -66.41 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.662 ' CE2' HG21 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -56.59 -20.07 19.16 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 107.997 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.37 -25.3 62.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 110.342 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.773 HD11 HG11 ' A' ' 113' ' ' VAL . 6.1 mt -72.21 141.72 83.92 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.1 Cg_endo -75.01 112.14 3.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.448 1.762 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.75 -13.97 5.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.409 HG13 HG23 ' A' ' 98' ' ' ILE . 61.2 t -83.85 118.02 30.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.435 0.727 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 99' ' ' VAL . 4.1 t80 -75.04 -42.21 57.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.7 p -175.83 157.21 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.013 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.458 ' H ' ' CD2' ' A' ' 28' ' ' HIS . 20.3 p -138.75 169.72 17.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.729 ' HB2' ' SD ' ' A' ' 35' ' ' MET . . . -152.97 150.4 29.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.788 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -95.84 138.36 33.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.463 ' HA2' ' N ' ' A' ' 182' ' ' ALA . . . -163.87 -173.29 32.37 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.634 ' CE2' ' HA ' ' A' ' 182' ' ' ALA . 3.0 m-85 -123.43 163.47 20.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 0.763 . . . . 0.0 110.996 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.449 HG22 ' CB ' ' A' ' 95' ' ' ALA . 9.7 t -167.76 163.23 14.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 110.391 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.33 -20.26 48.98 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.516 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -84.16 178.78 51.91 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.406 ' CD2' ' HB3' ' A' ' 11' ' ' PRO . 23.8 m-85 -115.08 -17.89 11.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 0.735 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 15' ' ' LEU . 87.7 m -74.33 118.69 71.84 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 110.461 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.4 Cg_endo -75.03 144.25 29.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.446 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 26.8 m-20 39.65 62.48 5.34 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.567 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -74.95 175.29 11.42 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.524 1.802 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.553 ' O ' HG23 ' A' ' 85' ' ' VAL . 90.0 m -116.83 154.12 31.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -55.55 -43.46 75.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.0 -43.5 64.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.488 ' OE2' HG21 ' A' ' 77' ' ' THR . 21.3 tt0 -60.62 -38.13 83.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 81' ' ' THR . 52.4 t -68.08 -37.93 78.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 109.254 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.1 t -53.37 -36.88 61.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.001 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.52 -39.11 72.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.017 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 86.05 13.9 68.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.565 1.166 . . . . 0.0 111.012 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -85.65 -11.63 53.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 0.739 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.5 p -92.6 -20.54 20.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.4 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.27 9.76 61.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 0.0 110.952 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.567 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 18.9 m-70 -68.95 147.0 52.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 0.0 109.642 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -115.95 150.58 36.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.489 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 22.2 mt-10 -70.68 109.75 5.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.449 ' CB ' HG22 ' A' ' 73' ' ' THR . . . -131.08 160.94 33.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.558 1.161 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.788 HG12 ' HA ' ' A' ' 70' ' ' ALA . 4.4 m -141.7 139.35 31.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.486 ' NE ' HG21 ' A' ' 44' ' ' ILE . 5.5 mtt180 -89.91 129.14 36.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 110.273 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.781 HD11 ' CE2' ' A' ' 59' ' ' PHE . 3.9 mp -119.25 122.88 70.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.39 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.82 HG22 ' CG1' ' A' ' 44' ' ' ILE . 95.5 t -110.7 102.45 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.662 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 17.7 p90 -130.26 172.23 12.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.56 135.59 19.35 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.167 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.4 Cg_endo -74.98 0.64 8.65 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.543 1.812 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.02 -24.9 17.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 110.017 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.7 t -100.67 -50.36 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.51 HG23 ' CD1' ' A' ' 100' ' ' TYR . 19.1 tt -117.99 156.27 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.4 p -115.51 147.5 40.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.067 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 9.8 p90 -56.72 -25.62 54.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.479 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.5 OUTLIER -66.31 -43.16 86.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.357 1.036 . . . . 0.0 110.258 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -64.44 -45.35 87.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.662 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 55.4 mt -59.06 -51.62 69.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 107' ' ' TYR . 3.3 mt -59.03 -41.86 88.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -61.59 -52.6 63.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.773 HG11 HD11 ' A' ' 62' ' ' LEU . 15.7 t -62.75 -41.48 92.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 114' ' ' PHE . 2.0 t80 -62.85 -41.66 99.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.557 ' HB3' ' CE2' ' A' ' 156' ' ' PHE . 38.7 m95 -71.83 -20.32 61.85 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.83 -30.95 22.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.453 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 9.7 t-20 -95.75 -1.32 50.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.436 ' CG ' ' N ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -70.44 171.68 9.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.576 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.436 ' N ' ' CG ' ' A' ' 118' ' ' HIS . 0.3 OUTLIER -108.9 140.9 22.32 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 158.8 41.88 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.504 ' HB2' ' HA ' ' A' ' 169' ' ' ILE . . . -87.65 125.0 34.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.389 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -132.35 57.54 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 75.83 23.89 71.1 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.481 1.113 . . . . 0.0 110.927 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 11.1 tpt -48.02 100.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -119.22 170.55 8.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -82.46 123.67 29.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.423 ' HA3' ' CE1' ' A' ' 130' ' ' HIS . . . -125.02 -114.27 2.01 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -128.01 -52.85 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.55 51.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.423 ' CE1' ' HA3' ' A' ' 127' ' ' GLY . 32.2 m170 -78.73 -34.92 45.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 0.0 109.631 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 164.7 41.7 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 34.5 p -77.67 -31.31 52.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 0.76 . . . . 0.0 110.412 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -48.42 -51.03 28.64 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.461 1.101 . . . . 0.0 110.365 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.47 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 27.8 p90 -108.83 126.91 53.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -132.81 172.99 11.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 67.5 p -102.86 95.81 6.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.045 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -132.17 146.15 51.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.827 HG22 ' HD3' ' A' ' 140' ' ' PRO . 69.5 mt -110.78 133.41 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.478 ' HB2' HG22 ' A' ' 46' ' ' ILE . 87.6 m-85 -128.1 76.78 77.49 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.942 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.953 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.0 Cg_endo -75.01 164.6 33.01 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.9 -52.51 2.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 7.3 p -77.41 162.17 69.84 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 110.417 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -40.62 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.88 -32.64 72.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.272 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 149' ' ' ALA . 39.6 tt0 -72.11 -39.38 68.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -51.19 60.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -57.08 -38.34 73.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.421 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -76.25 -35.52 58.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 145' ' ' GLN . . . -62.7 -59.66 4.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -59.08 -28.62 66.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -67.7 -46.52 72.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 59.8 p -61.14 -43.74 98.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.952 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 5.7 tt -56.35 -51.21 69.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -53.41 -47.89 69.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.04 -49.97 75.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.318 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.557 ' CE2' ' HB3' ' A' ' 115' ' ' TRP . 0.3 OUTLIER -63.44 -40.44 97.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -62.08 -47.69 83.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.43 -46.85 65.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -56.31 -44.6 80.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.408 1.067 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.407 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 16.1 ttp -63.3 -43.99 96.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.438 HD23 ' NE2' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -64.25 -31.41 72.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -68.19 -17.62 64.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.455 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -83.31 -4.63 58.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.9 t0 78.51 28.5 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -104.11 115.1 29.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -84.52 6.49 23.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.57 1.169 . . . . 0.0 109.342 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -84.9 80.8 9.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.438 ' NE2' HD23 ' A' ' 161' ' ' LEU . 9.9 m80 -62.79 134.62 56.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.552 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.569 ' H ' HD13 ' A' ' 169' ' ' ILE . 0.2 OUTLIER -71.63 133.98 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 36.2 p -86.18 45.41 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.454 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 34.9 m -91.62 126.12 36.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.439 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.0 138.22 54.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.42 1.075 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 42.5 mt -108.27 123.75 64.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.211 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -137.98 156.28 48.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -42.48 157.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.953 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -69.56 85.58 0.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.247 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 2.0 p -58.65 163.53 5.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 97.9 1.12 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.568 1.825 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.4 OUTLIER -77.19 133.36 38.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . 0.407 ' O ' ' O ' ' A' ' 181' ' ' TYR . 5.5 m-85 -120.39 130.74 54.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.502 ' CG ' HG21 ' A' ' 24' ' ' VAL . 25.0 m-85 -37.64 157.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.634 ' HA ' ' CE2' ' A' ' 72' ' ' TYR . . . -96.67 -62.99 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.35 159.15 28.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -67.98 -23.26 65.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.19 -34.35 59.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -70.3 -39.64 74.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.639 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.53 99.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.576 1.173 . . . . 0.0 110.287 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 29' ' ' ALA . 9.0 mp0 56.03 60.97 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.337 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -82.36 -29.51 30.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.664 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.1 OUTLIER -74.18 -29.16 61.63 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.467 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -64.91 -41.62 95.41 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.545 1.153 . . . . 0.0 109.571 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . 0.445 ' N ' ' CD2' ' A' ' 191' ' ' HIS . 1.9 ttmt -63.41 -40.93 98.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.093 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.478 ' O ' HD13 ' A' ' 190' ' ' LEU . 0.4 OUTLIER -136.0 103.71 9.82 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 -15.21 21.17 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.418 1.746 . . . . 0.0 111.043 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -89.84 -12.44 39.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -81.6 54.36 4.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . 0.597 ' O ' ' CD1' ' A' ' 197' ' ' TYR . 24.0 p90 -83.4 133.3 34.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 2.9 p -54.26 -50.84 66.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.581 1.175 . . . . 0.0 108.34 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 152.22 67.53 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 1.2 tt -82.18 146.59 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.453 0.737 . . . . 0.0 109.303 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . 0.438 ' HA3' HG23 ' A' ' 205' ' ' VAL . . . -92.58 -68.02 1.11 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 100.31 -75.15 0.43 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 18.7 tt -101.54 -41.48 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.457 0.739 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -53.67 -29.0 39.72 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.491 1.12 . . . . 0.0 111.051 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . 0.438 HG23 ' HA3' ' A' ' 201' ' ' GLY . 54.2 t -70.31 -60.3 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 0.764 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 61.9 p -119.33 69.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.521 ' CD2' ' C ' ' A' ' 207' ' ' LEU . 0.0 OUTLIER -69.76 158.46 87.04 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 171.45 18.29 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 92.79 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.43 1.753 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -48.91 120.75 4.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.965 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.538 HD23 ' H ' ' A' ' 3' ' ' PHE . 0.3 OUTLIER -80.14 159.94 25.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 0.0 109.258 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.538 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.7 OUTLIER -152.84 130.42 11.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -157.49 133.52 9.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.393 1.058 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HE2' ' CE1' ' A' ' 7' ' ' HIS . 17.3 ptmt -146.04 164.29 32.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.26 168.84 8.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.432 ' CE1' ' HE2' ' A' ' 5' ' ' LYS . 49.9 m-70 -135.77 40.94 2.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.514 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.41 132.81 55.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 p -51.81 145.64 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 109.246 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.99 166.54 43.92 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.043 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -38.66 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.441 1.759 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.44 -24.4 65.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.78 -38.35 19.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.218 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.35 84.65 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pp -100.08 156.95 34.71 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 111.18 3.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.543 1.812 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.15 -21.58 41.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.11 . . . . 0.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -140.57 143.13 35.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 110.292 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -109.85 -34.69 6.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.7 t -92.93 119.31 67.86 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 154.78 42.36 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.532 1.806 . . . . 0.0 110.962 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 8.1 mtm -74.24 153.31 88.26 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 159.07 41.48 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.54 1.81 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.4 t -138.88 156.72 28.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.554 1.159 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.09 164.77 26.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.075 . . . . 0.0 109.254 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.422 ' C ' HD13 ' A' ' 27' ' ' LEU . 75.9 m -90.69 -45.36 8.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -103.99 156.04 18.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 33' ' ' HIS . 42.4 t-80 -71.7 166.34 22.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 109.596 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.701 ' HB1' ' CE1' ' A' ' 191' ' ' HIS . . . -86.21 -37.7 18.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.4 t -92.88 -65.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -54.07 -34.5 60.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.591 1.182 . . . . 0.0 109.278 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.6 24.7 71.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 28' ' ' HIS . 0.1 OUTLIER -124.73 169.93 11.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.561 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -39.73 135.73 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.002 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -94.65 -51.17 4.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 111.056 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.7 OUTLIER -88.71 -47.26 8.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.386 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -55.12 127.41 28.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.25 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.943 HG21 HD11 ' A' ' 44' ' ' ILE . 56.0 t -116.14 123.49 30.83 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.18 26.34 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -52.98 126.98 22.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.1 1.62 31.62 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.454 1.096 . . . . 0.0 111.045 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.475 ' SD ' ' CG ' ' A' ' 66' ' ' TYR . 3.3 mtp -115.21 164.67 13.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -139.8 159.2 42.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.226 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.943 HD11 HG21 ' A' ' 38' ' ' VAL . 2.8 mp -109.54 148.58 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.79 131.27 30.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.361 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.428 HG22 ' HB2' ' A' ' 139' ' ' TYR . 6.3 mt -106.04 130.58 57.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -144.57 156.22 44.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -136.95 133.85 36.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.47 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 0.5 OUTLIER -138.37 172.19 13.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.941 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -49.82 -64.21 3.64 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 1.43 ' SG ' ' SG ' ' A' ' 198' ' ' CYS . 0.1 OUTLIER -75.25 179.56 5.04 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.5 p90 -144.09 -45.08 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 111.046 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.635 ' CH2' ' CE1' ' A' ' 189' ' ' TYR . 14.6 m0 -72.75 -36.89 67.8 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.53 -44.25 13.39 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.474 1.109 . . . . 0.0 111.061 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.41 HG23 ' HB3' ' A' ' 51' ' ' CYS . 97.4 t -57.3 -59.21 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.53 0.782 . . . . 0.0 109.352 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 14.9 pt-20 -50.0 -42.5 49.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.539 ' HA ' ' CD2' ' A' ' 60' ' ' TRP . 2.2 tmt_? -70.17 -30.31 67.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -25.83 55.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.369 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.656 ' CE2' HD11 ' A' ' 98' ' ' ILE . 1.0 OUTLIER -72.5 -59.97 2.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.539 ' CD2' ' HA ' ' A' ' 57' ' ' ARG . 0.7 OUTLIER -62.24 -15.81 49.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 0.0 107.969 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.402 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 8.8 mm-40 -83.07 -7.98 59.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.587 HD12 ' HA ' ' A' ' 59' ' ' PHE . 14.8 mt -87.57 137.38 32.21 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 108.19 2.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.444 1.76 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.416 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 133.73 -9.86 4.91 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.513 HG11 ' CG2' ' A' ' 68' ' ' THR . 20.1 t -86.83 121.9 38.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.529 0.782 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.475 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 5.2 t80 -77.95 -39.15 43.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.174 . . . . 0.0 111.065 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -169.71 154.97 5.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.968 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.513 ' CG2' HG11 ' A' ' 65' ' ' VAL . 69.3 p -132.22 171.15 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.404 1.065 . . . . 0.0 110.362 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.863 ' HB1' ' OE1' ' A' ' 187' ' ' GLN . . . -165.22 148.05 8.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -101.53 139.64 36.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -160.84 -162.38 12.52 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -150.01 155.56 40.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 0.727 . . . . 0.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 74' ' ' GLY . 1.0 OUTLIER -171.67 174.0 4.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.373 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.45 ' N ' ' OG1' ' A' ' 73' ' ' THR . . . 98.09 -13.93 62.98 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.439 1.087 . . . . 0.0 111.025 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.546 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -85.18 -173.2 49.68 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -112.82 -21.15 11.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 0.733 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.446 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 39.2 m -74.87 117.57 63.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.357 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 132.06 14.96 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.521 1.8 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.431 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 5.9 m-80 54.98 63.74 6.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.241 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.566 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -75.03 172.68 15.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.55 1.816 . . . . 0.0 111.011 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 85' ' ' VAL . 67.2 p -119.88 154.01 35.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 110.388 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -56.26 -34.31 66.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -69.05 -48.64 62.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -67.52 -41.88 83.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 81' ' ' THR . 52.8 t -56.09 -38.04 51.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.228 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.43 ' HA ' ' OE1' ' A' ' 133' ' ' GLN . 18.0 t -70.59 -32.05 69.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 m -66.42 -38.68 88.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.69 12.22 57.11 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.465 1.103 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -84.02 -21.59 31.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 0.0 109.364 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.4 p -81.56 -18.27 45.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.412 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.94 17.36 54.82 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.447 1.092 . . . . 0.0 111.037 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.566 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 38.2 m-70 -86.59 155.72 20.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 0.812 . . . . 0.0 109.625 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -113.07 156.98 22.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -82.1 109.71 16.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -121.06 167.99 12.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 69' ' ' ALA . 76.1 t -140.01 134.69 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -89.95 118.13 29.28 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.656 HD11 ' CE2' ' A' ' 59' ' ' PHE . 4.6 mp -113.9 129.61 69.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.43 1.081 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.681 HG22 ' CG1' ' A' ' 44' ' ' ILE . 91.0 t -119.38 100.29 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.219 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.494 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 23.7 p90 -126.75 177.39 6.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.468 ' CB ' ' HE2' ' A' ' 42' ' ' MET . 0.0 OUTLIER -112.78 135.75 21.6 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.4 Cg_endo -75.07 -0.49 10.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.3 m -93.15 -23.86 18.44 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.416 HG11 ' HA2' ' A' ' 64' ' ' GLY . 76.9 t -99.27 -48.74 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.453 HG23 ' CD1' ' A' ' 100' ' ' TYR . 16.8 tt -122.41 162.05 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.392 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.6 p -117.71 153.67 32.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 110.007 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.506 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 15.9 p90 -58.22 -28.52 64.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.506 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.0 OUTLIER -67.85 -38.7 83.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.578 1.174 . . . . 0.0 110.271 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -65.04 -44.89 87.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.578 1.174 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.494 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 36.3 mt -58.67 -51.89 68.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.41 ' O ' ' CD1' ' A' ' 115' ' ' TRP . 9.3 mt -60.3 -47.58 85.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -53.32 -53.51 49.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.362 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.469 HG11 HD11 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -61.93 -44.53 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -55.86 -52.56 63.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.529 ' CZ2' HD11 ' A' ' 138' ' ' ILE . 84.5 m95 -63.07 -16.33 59.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 107.985 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -86.08 -35.99 19.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.47 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 0.8 OUTLIER -92.94 -0.13 57.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.538 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -73.53 174.88 7.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 109.619 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.538 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 8.4 m-20 -117.4 144.48 34.09 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 159.85 40.86 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.514 1.797 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.92 124.98 32.26 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.546 1.154 . . . . 0.0 109.258 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -138.51 48.69 1.93 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.581 1.176 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 82.26 28.36 40.82 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -39.4 101.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.28 171.61 14.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.562 1.164 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -122.82 121.42 36.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -148.78 -76.99 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.458 1.099 . . . . 0.0 111.102 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -60.8 169.75 1.76 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 0.75 . . . . 0.0 109.286 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.2 93.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.243 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -127.73 169.91 13.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.563 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.521 ' O ' ' CE2' ' A' ' 134' ' ' TYR . . . -119.12 99.41 0.77 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 92.8 m -82.62 -0.5 47.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 110.398 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' A' ' 86' ' ' SER . 14.8 pt20 -47.71 -25.76 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 23.8 p90 -117.75 133.84 55.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 111.059 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.1 ptp85 -146.2 174.67 11.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.362 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 12.4 m -96.24 117.36 30.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.067 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -151.53 158.99 44.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.833 HG22 ' HD3' ' A' ' 140' ' ' PRO . 77.3 mt -118.59 133.17 66.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.428 ' HB2' HG22 ' A' ' 46' ' ' ILE . 83.3 m-85 -130.1 75.17 79.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 1.052 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 17.9 Cg_endo -75.03 167.31 27.31 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.479 1.778 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' A' ' 176' ' ' ALA . 0.3 OUTLIER -114.09 -52.77 2.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 58.8 p -71.64 159.0 86.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 110.387 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.44 2.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.421 1.748 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -38.55 91.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -64.78 -42.13 95.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -41.87 98.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.619 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -71.26 -32.3 68.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -74.86 -37.69 62.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.254 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -65.82 -58.77 4.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -60.3 -28.89 68.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.619 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -69.62 -35.64 75.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 78.1 p -74.04 -49.95 21.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.052 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.777 ' C ' HD23 ' A' ' 153' ' ' LEU . 0.4 OUTLIER -59.14 -44.47 92.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . 0.606 ' N ' HD23 ' A' ' 153' ' ' LEU . 1.2 tp10 -52.98 -38.64 62.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.386 1.054 . . . . 0.0 110.345 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -83.85 -35.15 24.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.429 ' CE1' ' HB3' ' A' ' 115' ' ' TRP . 2.2 t80 -61.35 -47.17 87.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.969 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 160' ' ' MET . 1.8 pt20 -63.16 -31.73 72.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.357 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.39 -33.08 69.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.45 -49.18 78.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.486 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 5.6 ptm -68.32 -32.77 73.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.486 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -66.04 -43.86 86.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.378 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.52 -23.3 66.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -85.61 -3.83 58.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 0.8 OUTLIER 77.76 31.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.366 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -91.89 110.68 22.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -87.55 12.46 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -106.27 89.68 3.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.423 ' HA ' ' CE ' ' A' ' 160' ' ' MET . 9.0 p-80 -73.74 145.75 44.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.606 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.11 141.65 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 40.3 p -89.41 41.17 1.02 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.371 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 5.9 t -93.09 133.41 36.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 110.402 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.64 133.2 54.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.641 HD11 HD13 ' A' ' 153' ' ' LEU . 12.2 mt -105.18 121.31 57.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -136.21 166.17 24.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 109.348 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -49.75 159.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 1.052 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -74.03 82.65 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 2.0 p -59.4 163.65 6.21 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.367 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 115.23 4.22 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.406 1.74 . . . . 0.0 111.029 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.3 OUTLIER -78.51 140.46 38.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -119.57 109.61 15.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.405 1.065 . . . . 0.0 110.967 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -41.06 155.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -109.83 173.11 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.48 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 2.0 tp10 -38.66 131.56 1.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.235 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -53.53 -22.49 8.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -44.94 34.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . 0.48 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 39.2 m-70 -65.55 -45.14 84.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.634 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 0.863 ' OE1' ' HB1' ' A' ' 69' ' ' ALA . 7.5 mt-30 -53.58 131.9 39.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.591 ' HG2' ' O ' ' A' ' 187' ' ' GLN . 0.0 OUTLIER 39.23 50.22 1.88 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.482 1.113 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.635 ' CE1' ' CH2' ' A' ' 53' ' ' TRP . 3.3 t80 -83.82 -31.06 26.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 20.7 tp -75.44 -23.39 56.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.701 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -56.26 -30.6 62.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.615 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -71.09 -31.39 67.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.43 ' ND2' ' N ' ' A' ' 193' ' ' ASN . 0.2 OUTLIER -139.35 102.08 7.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -14.27 21.18 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.564 1.823 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -94.71 26.53 3.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -112.61 51.4 0.7 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.449 1.093 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -63.57 141.46 58.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 0.726 . . . . 0.0 111.013 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 1.43 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 30.2 p -102.7 -31.69 10.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 108.27 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 150.78 96.8 0.15 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.544 1.152 . . . . 0.0 111.049 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 202' ' ' GLY . 7.1 mm -103.7 -67.56 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.599 0.823 . . . . 0.0 109.286 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -66.8 68.92 0.18 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 200' ' ' ILE . . . 94.21 -179.79 37.99 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 13.2 tt -65.84 138.22 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -79.47 -133.35 0.98 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 35.5 m -122.98 121.71 63.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.535 0.785 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.35 100.42 11.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 109.907 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 69.1 mt -82.25 152.12 67.29 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 167.55 26.79 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -178.82 4.43 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.419 1.747 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -41.47 120.44 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.622 1.201 . . . . 0.0 110.301 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.398 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.404 ' N ' ' HB2' ' A' ' 5' ' ' LYS . 51.5 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mp -62.61 -55.13 29.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -132.74 -59.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -155.68 82.06 1.03 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.267 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.404 ' HB2' ' N ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -124.03 118.44 26.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -80.05 56.87 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -144.88 130.55 19.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.601 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -51.52 -179.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p -123.95 148.8 27.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.39 1.056 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.42 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.3 OUTLIER -92.11 173.82 4.81 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 10' ' ' SER . 18.5 Cg_endo -74.98 -41.51 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.435 1.755 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.49 -25.22 63.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -85.41 -37.09 20.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.77 165.9 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 mp -100.7 149.3 36.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 17' ' ' GLY . 18.2 Cg_endo -74.94 98.5 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.605 ' HA2' HG23 ' A' ' 77' ' ' THR . . . 38.49 -159.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.449 1.093 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.434 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 1.7 tpm_? -113.38 151.81 30.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 0.754 . . . . 0.0 110.348 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -74.33 -26.62 60.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.462 HG23 ' HD2' ' A' ' 21' ' ' PRO . 2.6 m -110.85 139.05 21.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.462 ' HD2' HG23 ' A' ' 20' ' ' THR . 18.1 Cg_endo -75.06 149.41 36.4 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.81 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.0 mtp -79.01 120.42 80.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 125.3 9.21 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.511 1.795 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.51 HG21 ' CG ' ' A' ' 181' ' ' TYR . 11.0 t -139.78 150.59 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.445 ' O ' HG12 ' A' ' 24' ' ' VAL . . . -77.61 164.91 24.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.554 HG22 HD13 ' A' ' 27' ' ' LEU . 8.9 m -88.33 -45.02 10.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.554 HD13 HG22 ' A' ' 26' ' ' THR . 0.3 OUTLIER -104.76 157.56 17.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -70.86 158.44 36.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.615 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.678 ' HB2' ' OE1' ' A' ' 188' ' ' GLN . . . -85.73 -33.12 21.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.43 HG21 ' CE2' ' A' ' 60' ' ' TRP . 61.0 t -92.33 -66.62 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 66' ' ' TYR . 53.5 t30 -54.16 -36.64 63.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.07 29.29 70.71 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.48 1.113 . . . . 0.0 111.036 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.73 170.08 16.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 0.786 . . . . 0.0 109.645 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 m -39.79 138.48 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.17 -62.1 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.2 p -70.93 -45.14 64.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.379 1.05 . . . . 0.0 110.4 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -55.3 132.46 47.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.376 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.908 HG21 HD11 ' A' ' 44' ' ' ILE . 2.7 t -127.81 112.91 20.55 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 148.23 35.27 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.02 133.69 51.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.368 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.4 -12.86 33.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.7 mmt -103.39 161.88 13.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 0.803 . . . . 0.0 111.047 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -137.62 160.65 38.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.908 HD11 HG21 ' A' ' 38' ' ' VAL . 3.4 mt -115.52 150.89 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.593 ' HB1' ' CE2' ' A' ' 47' ' ' PHE . . . -140.39 130.81 25.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.5 mt -110.54 128.92 66.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.218 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.645 ' HE1' HG23 ' A' ' 138' ' ' ILE . 51.5 m-85 -148.06 152.35 37.23 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.566 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -123.9 115.26 21.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.96 -177.39 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -54.7 -95.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.487 ' O ' HG21 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -62.86 -179.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 6.0 p90 -137.3 -45.14 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -61.94 -45.51 93.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 108.003 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.49 -41.08 21.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.516 HG12 ' CD2' ' A' ' 59' ' ' PHE . 90.3 t -59.39 -55.38 24.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.496 ' O ' ' CE3' ' A' ' 60' ' ' TRP . 1.4 tt0 -54.69 -38.66 67.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.551 ' HA ' ' CZ3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -72.16 -34.76 68.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.33 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -35.06 62.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.523 ' CD1' HG12 ' A' ' 98' ' ' ILE . 0.9 OUTLIER -62.74 -65.54 0.67 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.551 ' CZ3' ' HA ' ' A' ' 57' ' ' ARG . 0.6 OUTLIER -56.3 -21.75 26.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.478 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 4.3 mm-40 -76.29 -20.45 57.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.243 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.511 HD23 ' HD2' ' A' ' 63' ' ' PRO . 1.6 tt -67.94 139.35 93.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.511 ' HD2' HD23 ' A' ' 62' ' ' LEU . 18.4 Cg_endo -74.97 114.58 4.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 0.0 111.058 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.469 ' HA2' HG11 ' A' ' 104' ' ' VAL . . . 124.75 -13.86 7.65 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.1 t -88.68 124.09 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.416 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.8 OUTLIER -77.97 -47.58 18.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.2 p -162.72 163.03 27.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.934 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.7 p -142.98 169.79 16.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.449 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.61 139.39 16.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.78 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -98.16 129.91 44.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.48 ' HA2' ' N ' ' A' ' 182' ' ' ALA . . . -150.59 -166.88 13.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 111.056 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.604 ' CE2' ' HA ' ' A' ' 182' ' ' ALA . 4.8 m-85 -122.31 152.12 40.42 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.528 0.781 . . . . 0.0 110.967 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.477 HG23 ' C ' ' A' ' 72' ' ' TYR . 77.7 p -154.46 171.28 19.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.411 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.52 -20.5 30.61 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.589 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -83.28 -172.46 48.74 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 76' ' ' TYR . 14.1 m-85 -113.66 -25.68 8.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.605 HG23 ' HA2' ' A' ' 17' ' ' GLY . 15.7 m -75.7 119.28 76.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.343 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.482 ' HD2' ' CA ' ' A' ' 17' ' ' GLY . 18.4 Cg_endo -74.96 138.79 23.59 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 111.072 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.49 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 7.0 p-10 41.66 60.47 8.7 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.568 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.4 Cg_endo -75.01 178.1 7.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.505 1.792 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.557 ' O ' HG23 ' A' ' 85' ' ' VAL . 68.7 m -107.67 153.89 22.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -60.6 -38.3 84.19 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.66 -46.99 88.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.9 -41.63 82.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.349 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 81' ' ' THR . 27.0 t -52.91 -47.45 52.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.235 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.45 -28.31 69.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.022 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.35 -33.98 76.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.55 13.16 73.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.536 1.148 . . . . 0.0 110.99 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.84 4.6 49.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 0.777 . . . . 0.0 109.271 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.7 p -110.97 -18.89 12.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.347 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.94 17.71 61.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 111.075 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.589 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 17.6 m-70 -82.25 163.33 21.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 0.776 . . . . 0.0 109.621 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -130.25 175.2 9.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.566 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 66.1 mm-40 -77.75 125.17 28.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.621 1.2 . . . . 0.0 110.338 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -151.53 153.66 35.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.78 HG12 ' HA ' ' A' ' 70' ' ' ALA . 3.1 m -139.57 153.27 23.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.513 ' C ' HD12 ' A' ' 98' ' ' ILE . 4.6 ttm180 -105.54 136.81 44.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.523 HG12 ' CD1' ' A' ' 59' ' ' PHE . 4.7 mp -128.67 128.07 67.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.353 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.623 HG13 HG13 ' A' ' 44' ' ' ILE . 3.2 t -116.11 105.16 17.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.438 ' CD2' HG23 ' A' ' 105' ' ' ILE . 17.6 p90 -128.98 173.29 10.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.45 130.54 25.51 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.435 1.084 . . . . 0.0 109.243 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.11 10.79 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.536 1.808 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.46 -13.68 15.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.004 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.469 HG11 ' HA2' ' A' ' 64' ' ' GLY . 47.4 t -96.54 -47.14 12.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.438 HG23 ' CD2' ' A' ' 100' ' ' TYR . 17.7 tt -129.28 166.19 27.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 109.389 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.8 p -111.31 153.07 26.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 110.007 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 26.0 p90 -58.09 -38.18 75.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 111.066 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.637 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 1.1 tt0 -57.59 -38.86 75.59 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -65.95 -44.2 85.74 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 36.9 mt -60.87 -44.75 96.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.625 HD21 HD13 ' A' ' 138' ' ' ILE . 0.4 OUTLIER -65.82 -41.22 92.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -53.33 -54.49 35.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.498 HG21 HD11 ' A' ' 62' ' ' LEU . 84.7 t -59.99 -44.57 94.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 118' ' ' HIS . 24.0 t80 -55.02 -51.2 67.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 111.025 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -67.71 -19.45 65.15 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -80.6 -38.1 29.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -94.65 -5.21 46.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.54 ' CE1' ' OD1' ' A' ' 119' ' ' ASP . 44.4 t60 -71.25 165.17 24.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.576 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.54 ' OD1' ' CE1' ' A' ' 118' ' ' HIS . 12.4 p-10 -102.03 147.04 33.35 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 158.71 41.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.544 1.812 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 167' ' ' ARG . . . -86.17 131.92 34.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -126.3 36.03 4.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 93.35 24.55 21.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.569 ' O ' HG21 ' A' ' 170' ' ' THR . 0.0 OUTLIER -54.21 108.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 111.028 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -107.25 172.97 6.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.276 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -81.09 145.0 31.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.467 1.105 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 118.65 96.97 1.78 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -45.75 126.04 6.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.348 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -142.23 -49.67 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -113.01 66.1 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.637 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.507 ' O ' ' CE2' ' A' ' 134' ' ' TYR . . . 45.82 90.32 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.577 1.173 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 134' ' ' TYR . 3.7 m -85.29 -0.85 56.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 0.81 . . . . 0.0 110.355 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 132' ' ' THR . 4.3 mt-30 -38.96 -31.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.534 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 28.4 p90 -112.21 125.85 54.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.24 163.27 30.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 171' ' ' THR . 33.3 p -98.26 97.18 8.61 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -130.04 155.15 46.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.376 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.818 HG22 ' HD3' ' A' ' 140' ' ' PRO . 47.1 mt -120.75 133.45 67.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.378 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -130.28 78.18 74.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.17 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.818 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.4 Cg_endo -74.96 169.62 22.22 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.438 1.757 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.427 HD22 ' C ' ' A' ' 140' ' ' PRO . 2.8 mm? -110.21 -49.72 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.417 ' OG1' ' CG ' ' A' ' 145' ' ' GLN . 77.9 p -77.07 161.75 72.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -33.88 4.32 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.481 1.78 . . . . 0.0 111.047 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.19 -46.49 83.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.417 ' CG ' ' OG1' ' A' ' 142' ' ' THR . 88.3 mt-30 -57.8 -46.51 84.53 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.131 . . . . 0.0 110.246 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.26 -46.08 76.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 151' ' ' ALA . . . -63.69 -45.56 89.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.482 ' CB ' ' CE1' ' A' ' 107' ' ' TYR . . . -63.54 -36.68 84.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -63.49 -59.07 5.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -64.2 -35.75 81.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 147' ' ' ALA . . . -60.39 -35.35 75.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 53.5 p -77.8 -33.32 52.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.046 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.649 ' O ' HD23 ' A' ' 153' ' ' LEU . 3.0 tt -68.3 -51.2 47.38 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -24.25 65.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.16 -56.78 4.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -60.65 -39.19 87.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.471 ' O ' ' CG ' ' A' ' 160' ' ' MET . 5.5 tt0 -62.05 -45.18 94.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.85 -32.22 67.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.24 -49.37 77.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.496 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 5.5 ptm -67.92 -32.64 73.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.394 1.059 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.496 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -61.87 -39.55 92.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.7 -19.63 65.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -89.01 -2.96 58.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 74.28 32.02 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.4 121.85 41.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.87 17.44 7.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . 0.408 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 65.6 mtt180 -95.3 69.12 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.406 ' CA ' ' HE1' ' A' ' 160' ' ' MET . 0.0 OUTLIER -69.1 140.78 54.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.645 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.7 mp -73.85 126.98 35.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . 0.569 HG21 ' O ' ' A' ' 124' ' ' MET . 4.2 p -86.89 49.2 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.38 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 136' ' ' SER . 1.3 m -90.01 136.01 33.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.414 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -121.3 132.04 54.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.088 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 14.4 mt -109.19 126.13 66.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -141.61 164.21 30.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.246 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -46.06 167.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -87.96 89.2 7.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . 0.448 ' HB ' ' HD2' ' A' ' 178' ' ' PRO . 6.7 p -65.98 170.01 5.89 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.389 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . 0.448 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.2 Cg_endo -75.15 110.99 3.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.537 1.809 . . . . 0.0 110.976 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -76.26 135.62 39.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 111.054 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . 0.417 ' O ' ' HA3' ' A' ' 71' ' ' GLY . 15.8 m-85 -121.21 118.58 29.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.51 ' CG ' HG21 ' A' ' 24' ' ' VAL . 61.0 m-85 -37.67 159.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.448 1.093 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.604 ' HA ' ' CE2' ' A' ' 72' ' ' TYR . . . -93.74 -66.38 0.92 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.567 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 2.7 tp10 -163.58 147.47 10.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.339 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.41 -21.83 66.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.24 -40.3 30.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 4.5 m-70 -81.03 -32.41 34.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.55 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 0.471 ' C ' ' CG ' ' A' ' 188' ' ' GLN . 2.2 tp60 -55.07 116.35 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.344 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.678 ' OE1' ' HB2' ' A' ' 29' ' ' ALA . 0.7 OUTLIER 43.64 55.55 4.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.36 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.46 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 63.4 t80 -85.81 -49.57 7.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.061 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.539 HD11 ' O ' ' A' ' 196' ' ' GLY . 9.1 tp -55.63 -22.39 22.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.217 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.527 ' CE1' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -55.5 -35.79 65.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 0.0 109.639 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . 0.427 ' HG2' ' ND2' ' A' ' 193' ' ' ASN . 32.9 pttt -90.06 -22.82 21.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.082 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.3 OUTLIER -122.8 90.88 49.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.231 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -16.46 20.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.539 1.81 . . . . 0.0 111.016 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -95.44 4.57 53.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.454 1.096 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . 0.539 ' O ' HD11 ' A' ' 190' ' ' LEU . . . -74.69 55.6 2.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.441 1.088 . . . . 0.0 110.965 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -53.79 141.69 26.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.73 167.16 21.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 108.342 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -79.31 135.94 16.37 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 200' ' ' ILE . 26.3 mm -84.15 -67.36 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.506 0.768 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -174.88 58.13 0.12 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -128.9 72.69 0.47 Allowed Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.428 ' CG1' ' O ' ' A' ' 203' ' ' ILE . 4.1 tt -99.12 10.09 7.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.51 0.771 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 39.08 -124.39 1.75 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.564 1.165 . . . . 0.0 111.048 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 6.2 m -123.73 143.74 35.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.438 0.728 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.55 -75.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.935 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 208' ' ' PRO . 33.2 mt -91.9 143.62 28.05 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 207' ' ' LEU . 18.3 Cg_endo -75.03 161.6 38.42 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.547 1.814 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 140.46 25.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.793 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -55.6 122.85 12.26 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.557 1.161 . . . . 0.0 110.25 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.63 HD13 ' H ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -65.63 159.87 23.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -79.75 171.63 14.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -56.71 108.61 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -78.4 79.21 4.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -105.05 -62.04 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.214 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -128.1 -45.86 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.625 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.12 133.91 38.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.234 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.693 HG12 ' HA3' ' A' ' 91' ' ' GLY . 13.4 p -67.8 153.66 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.414 1.071 . . . . 0.0 109.288 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.36 167.33 36.36 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 110.067 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.9 1.82 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.546 1.814 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.52 -33.43 75.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.65 -36.7 28.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.41 140.65 21.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.24 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.2 mt -99.9 154.72 37.09 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 101.05 1.42 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.485 1.782 . . . . 0.0 111.002 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.0 -119.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.124 . . . . 0.0 111.077 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 ttp85 -133.88 160.81 36.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 0.792 . . . . 0.0 110.259 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -95.07 -36.54 11.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -82.92 123.37 77.89 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.463 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.492 ' HA ' ' ND2' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -75.03 155.06 42.77 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.789 . . . . 0.0 110.981 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.16 150.57 96.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.597 1.186 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 143.63 29.16 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.464 1.77 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.724 HG11 ' CE1' ' A' ' 181' ' ' TYR . 55.2 t -139.15 128.23 29.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.279 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -42.18 156.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 m -80.24 -45.13 18.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.493 HD12 ' N ' ' A' ' 34' ' ' SER . 0.5 OUTLIER -98.9 155.73 17.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.584 ' CE1' ' OE1' ' A' ' 188' ' ' GLN . 25.9 t-80 -71.07 163.88 26.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.645 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.783 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -87.13 -30.32 21.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.575 HG21 ' CE2' ' A' ' 60' ' ' TRP . 69.3 t -95.41 -67.79 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 32.2 m-80 -55.1 -36.01 65.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 69.26 25.04 75.79 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.559 1.162 . . . . 0.0 110.996 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.596 ' CG ' ' N ' ' A' ' 34' ' ' SER . 13.5 t60 -126.89 170.13 12.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 0.761 . . . . 0.0 109.561 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.596 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 3.1 m -42.81 132.77 3.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.052 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.37 -64.39 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 37' ' ' ASN . 4.3 t -61.64 -51.89 66.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.454 ' N ' HG23 ' A' ' 36' ' ' THR . 1.4 m-20 -54.87 126.05 22.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.677 HG13 ' HB3' ' A' ' 42' ' ' MET . 2.6 t -111.56 134.45 21.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.242 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.575 ' HG3' ' CE2' ' A' ' 66' ' ' TYR . 18.3 Cg_endo -75.02 147.93 34.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.812 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.47 112.57 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.31 10.48 23.76 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.677 ' HB3' HG13 ' A' ' 38' ' ' VAL . 3.7 tpt -100.52 161.02 13.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 0.756 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -141.52 145.48 35.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.674 HD11 HG21 ' A' ' 38' ' ' VAL . 3.5 mp -106.57 145.36 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -123.19 129.54 51.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 3.6 mt -118.53 131.89 70.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 1.011 ' CZ ' HD13 ' A' ' 98' ' ' ILE . 0.5 OUTLIER -156.97 165.82 35.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.935 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 94' ' ' GLU . . . -136.43 114.54 11.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.474 ' CE ' ' HB3' ' A' ' 117' ' ' ASN . 1.6 ptm -148.48 131.96 16.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 110.984 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 49' ' ' MET . . . 34.6 -146.95 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.419 1.075 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.0 p -61.1 173.93 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.486 ' O ' ' CB ' ' A' ' 56' ' ' GLU . 7.5 p90 -127.98 -1.55 5.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.465 ' C ' HD12 ' A' ' 190' ' ' LEU . 10.6 m0 -87.93 -50.66 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 107.957 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.44 -34.31 40.71 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.544 1.153 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.582 HG22 ' OD1' ' A' ' 117' ' ' ASN . 62.1 t -71.04 -54.02 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.739 . . . . 0.0 109.364 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.486 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 15.0 tt0 -48.03 -51.37 24.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.813 ' HD3' HD13 ' A' ' 190' ' ' LEU . 2.1 ptt180 -64.23 -24.97 67.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.535 HD13 HD22 ' A' ' 117' ' ' ASN . 0.0 OUTLIER -78.29 -24.79 46.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.836 ' CZ ' ' CE2' ' A' ' 47' ' ' PHE . 5.6 m-85 -84.4 -57.82 3.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 111.044 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.728 ' HA ' HG11 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -55.66 -26.82 46.57 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.493 1.12 . . . . 0.0 107.986 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 73.2 mt-30 -76.09 -9.91 59.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.342 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.561 HD11 HG21 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -79.18 144.63 63.1 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 124.01 8.28 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.439 ' O ' ' HA ' ' A' ' 100' ' ' TYR . . . 117.5 -16.66 12.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 0.0 111.06 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.728 HG11 ' HA ' ' A' ' 60' ' ' TRP . 47.7 t -76.63 110.0 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.575 ' CE2' ' HG3' ' A' ' 39' ' ' PRO . 0.4 OUTLIER -75.37 -47.94 25.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.961 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.0 m -144.44 152.01 40.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.843 HG23 HG13 ' A' ' 98' ' ' ILE . 2.4 m -137.13 140.28 41.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.335 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.424 ' HA ' ' NE2' ' A' ' 187' ' ' GLN . . . -139.69 166.03 25.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.903 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -132.31 140.53 48.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 0.0 109.268 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.814 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -164.08 -155.68 8.43 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.477 1.111 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -132.24 168.91 17.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -175.77 161.93 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.36 -18.14 55.82 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.441 1.088 . . . . 0.0 111.023 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.558 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -85.8 -176.18 50.15 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -114.97 -19.78 10.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 111.051 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.445 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 1.2 m -74.87 121.6 85.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.173 . . . . 0.0 110.413 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 141.06 26.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.455 1.766 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.492 ' ND2' ' HA ' ' A' ' 21' ' ' PRO . 17.0 t-20 42.44 63.7 6.78 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.571 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.3 Cg_endo -74.97 161.96 37.98 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.1 p -110.14 153.39 24.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -54.69 -35.55 63.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -63.41 -47.49 81.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.173 . . . . 0.0 110.326 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.46 ' HB3' ' CG2' ' A' ' 90' ' ' THR . 49.8 mt-10 -72.31 -45.1 61.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.6 t -51.53 -38.82 21.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.4 t -72.24 -33.62 67.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.088 . . . . 0.0 110.019 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.6 m -63.74 -39.55 94.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.944 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.01 8.35 59.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.449 1.093 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -80.78 -17.36 51.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.46 ' CG2' ' HB3' ' A' ' 84' ' ' GLU . 8.5 p -88.77 -19.42 26.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.387 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.693 ' HA3' HG12 ' A' ' 9' ' ' VAL . . . 64.13 15.34 58.44 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.571 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 30.5 m-70 -83.71 151.3 25.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.77 . . . . 0.0 109.588 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -121.46 168.5 11.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.463 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 0.2 OUTLIER -70.24 129.32 39.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -156.31 151.37 26.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.561 1.163 . . . . 0.0 109.263 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.903 HG12 ' HA ' ' A' ' 70' ' ' ALA . 4.8 m -140.68 164.92 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.773 ' C ' HD12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -126.13 122.24 35.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.011 HD13 ' CZ ' ' A' ' 47' ' ' PHE . 1.6 mp -111.69 132.28 60.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.516 HG22 ' CG1' ' A' ' 44' ' ' ILE . 11.6 t -109.55 108.84 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.439 ' HA ' ' O ' ' A' ' 64' ' ' GLY . 8.5 p90 -128.48 172.27 11.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.421 ' N ' ' HE3' ' A' ' 42' ' ' MET . 0.4 OUTLIER -112.26 133.05 21.83 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.424 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.4 Cg_endo -74.95 -1.09 10.76 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.498 1.789 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.09 -25.33 19.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 110.038 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 77.4 t -109.05 -49.15 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.65 HD11 ' CG ' ' A' ' 109' ' ' GLN . 0.2 OUTLIER -121.93 131.28 73.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.561 ' N ' HD13 ' A' ' 105' ' ' ILE . 3.5 p -98.44 150.82 21.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.669 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 2.3 p90 -63.76 -36.63 84.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.669 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 15.6 tt0 -53.11 -48.61 67.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.65 ' CG ' HD11 ' A' ' 105' ' ' ILE . 2.0 pt20 -63.36 -36.91 85.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.474 HD21 HD22 ' A' ' 62' ' ' LEU . 17.2 mt -58.72 -49.51 77.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.432 ' HB3' ' CZ2' ' A' ' 115' ' ' TRP . 26.8 mt -50.88 -39.31 53.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.45 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 0.0 OUTLIER -63.11 -34.73 78.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.561 HG21 HD11 ' A' ' 62' ' ' LEU . 14.0 t -74.86 -37.58 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 118' ' ' HIS . 7.9 m-85 -54.46 -53.16 57.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.574 ' CZ2' ' HB2' ' A' ' 152' ' ' SER . 0.7 OUTLIER -61.31 -23.11 65.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 107.981 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.58 -38.24 70.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.326 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.582 ' OD1' HG22 ' A' ' 55' ' ' VAL . 14.8 t-20 -95.04 -14.48 24.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.556 ' HD1' ' N ' ' A' ' 119' ' ' ASP . 16.1 t-80 -69.76 148.67 48.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.643 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.556 ' N ' ' HD1' ' A' ' 118' ' ' HIS . 6.9 m-20 -112.23 155.56 43.35 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.162 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 160.54 39.97 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 167' ' ' ARG . . . -84.37 127.83 34.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -106.85 -28.82 9.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.562 1.164 . . . . 0.0 110.25 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.05 29.94 10.89 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.444 1.09 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.5 ttp -44.11 142.26 1.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 0.809 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -138.37 122.66 18.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -119.11 174.1 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -170.82 59.02 0.18 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -157.92 -57.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 109.251 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.42 122.75 40.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.64 108.06 19.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.622 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 117.72 84.1 0.98 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.393 1.058 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.601 ' O ' ' CE1' ' A' ' 134' ' ' TYR . 9.1 p -82.07 -17.25 47.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 110.39 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 60.72 27.81 17.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.24 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.601 ' CE1' ' O ' ' A' ' 132' ' ' THR . 5.8 m-85 -126.91 125.3 41.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -147.32 92.99 2.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 73.7 m -60.82 91.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -133.99 163.92 28.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.883 HG22 ' HD3' ' A' ' 140' ' ' PRO . 30.0 mt -122.85 130.45 74.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.406 ' HB3' ' HA ' ' A' ' 176' ' ' ALA . 27.9 m-85 -122.87 75.45 48.16 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 111.047 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.883 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.2 Cg_endo -74.98 169.65 22.16 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.875 HD22 ' CB ' ' A' ' 176' ' ' ALA . 0.2 OUTLIER -109.16 -55.44 2.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.6 p -67.97 157.29 87.33 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -42.61 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.544 1.813 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.36 -38.67 80.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.366 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -68.57 -35.51 77.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.178 . . . . 0.0 110.339 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -49.24 61.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.377 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -65.9 -35.44 80.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.9 -45.98 59.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.41 -56.57 18.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 151' ' ' ALA . 8.6 ptp180 -60.52 -34.33 73.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.351 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -60.27 -45.44 93.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.394 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 23.1 p -59.07 -43.55 91.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.942 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.455 ' C ' HD23 ' A' ' 153' ' ' LEU . 6.1 tt -53.5 -50.37 65.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -52.53 -46.78 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -40.4 74.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -59.84 -48.1 83.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 158' ' ' ALA . 1.2 pt20 -70.03 -26.07 63.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 157' ' ' GLN . . . -68.73 -46.95 67.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 162' ' ' ALA . . . -64.3 -42.8 96.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.417 ' C ' ' SD ' ' A' ' 160' ' ' MET . 14.5 tmm? -60.64 -48.15 83.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.587 HD22 ' O ' ' A' ' 165' ' ' ASP . 0.1 OUTLIER -64.38 -30.07 71.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 159' ' ' ALA . . . -61.85 -20.06 63.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -89.26 14.46 10.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 2.5 t70 58.7 31.05 20.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . 0.587 ' O ' HD22 ' A' ' 161' ' ' LEU . 1.2 m-20 -104.49 136.01 44.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.383 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -98.13 8.45 44.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.205 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . 0.43 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 1.3 mtm-85 -80.19 72.65 7.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.43 1.081 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -66.45 142.5 57.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.658 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 3.4 mp -78.77 131.01 35.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 27.1 p -85.71 48.21 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.424 HG22 HD12 ' A' ' 153' ' ' LEU . 3.2 m -90.73 124.25 34.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.384 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.84 140.52 52.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.604 1.19 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 3.1 mp -117.88 127.59 75.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -140.34 171.74 13.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.424 1.077 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -42.76 164.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.875 ' CB ' HD22 ' A' ' 141' ' ' LEU . . . -86.93 87.85 7.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . 0.421 ' H ' HG23 ' A' ' 177' ' ' THR . 30.1 p -59.66 164.23 5.89 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 177' ' ' THR . 18.3 Cg_endo -74.9 117.53 4.96 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.458 1.768 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.574 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -76.59 141.77 40.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 181' ' ' TYR . 40.3 m-85 -119.37 105.38 11.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.724 ' CE1' HG11 ' A' ' 24' ' ' VAL . 18.4 m-85 -35.72 150.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.814 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -107.91 173.52 6.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -44.1 141.54 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -54.97 -36.34 65.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.71 -42.98 89.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -68.26 -46.26 70.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.567 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 0.458 ' HA ' ' NE2' ' A' ' 187' ' ' GLN . 14.6 tp60 -49.46 112.65 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.276 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.783 ' OE1' ' HB3' ' A' ' 29' ' ' ALA . 10.0 mt-30 49.42 58.73 5.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.333 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.433 ' O ' ' ND2' ' A' ' 193' ' ' ASN . 12.0 t80 -82.06 -37.99 25.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.813 HD13 ' HD3' ' A' ' 57' ' ' ARG . 0.5 OUTLIER -72.45 -27.94 62.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 109.259 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.545 ' CD2' ' N ' ' A' ' 192' ' ' LYS . 0.0 OUTLIER -57.07 -38.85 73.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.616 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . 0.545 ' N ' ' CD2' ' A' ' 191' ' ' HIS . 9.8 mmmt -65.02 -42.75 94.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.807 ' O ' HD23 ' A' ' 190' ' ' LEU . 0.0 OUTLIER -120.38 103.9 43.76 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -11.48 21.37 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 193' ' ' ASN . 47.9 p90 -96.77 13.86 27.08 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.55 1.157 . . . . 0.0 110.97 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . 0.449 ' O ' HD21 ' A' ' 190' ' ' LEU . . . -101.1 58.1 0.68 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -50.98 130.02 24.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 110.971 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 10.0 t -53.44 -61.09 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.268 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 116.28 60.99 0.33 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 33.3 pt -128.11 176.45 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.739 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 124.02 45.09 0.28 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.59 1.181 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 67.67 66.33 2.38 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.458 HD13 ' C ' ' A' ' 203' ' ' ILE . 0.0 OUTLIER -71.13 -177.6 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 109.258 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -159.34 75.85 0.2 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 54.5 t -116.67 -44.14 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 77.9 p -51.15 109.03 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.042 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 66.1 mt -88.12 152.35 50.44 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 209' ' ' PRO . 18.3 Cg_endo -75.1 142.12 27.19 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.467 1.772 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 208' ' ' PRO . 18.4 Cg_endo -74.98 167.68 26.51 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.542 1.812 . . . . 0.0 111.041 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -70.62 149.05 47.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.683 HD13 ' H ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -80.1 156.58 26.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -50.27 168.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -144.88 170.23 16.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -142.03 129.03 20.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -107.62 168.66 9.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -83.82 179.98 7.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.601 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tp -52.1 145.11 10.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.724 HG11 ' C ' ' A' ' 89' ' ' ASP . 9.5 p -112.83 156.96 13.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.49 166.2 35.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.023 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -33.05 5.04 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.479 1.779 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.0 -27.05 54.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.07 -37.15 26.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.365 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 76' ' ' TYR . . . -50.08 109.7 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.448 ' O ' HG23 ' A' ' 77' ' ' THR . 1.2 mt -100.34 155.08 36.8 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.509 1.131 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 101.53 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.771 . . . . 0.0 111.041 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.78 -86.3 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.105 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.53 163.28 34.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 0.787 . . . . 0.0 110.306 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -108.07 30.7 6.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.0 m -101.61 111.1 63.46 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.524 1.14 . . . . 0.0 110.386 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 136.58 20.58 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.463 1.77 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.498 ' CE ' HG23 ' A' ' 81' ' ' THR . 0.7 OUTLIER -71.59 150.98 93.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.94 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 128.59 11.6 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.44 HG21 ' CD2' ' A' ' 181' ' ' TYR . 3.0 t -123.06 136.24 60.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.15 153.21 42.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.651 HG22 HD13 ' A' ' 27' ' ' LEU . 18.2 m -78.5 -44.1 25.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.651 HD13 HG22 ' A' ' 26' ' ' THR . 0.0 OUTLIER -103.45 132.28 49.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.575 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 25.4 t-80 -44.44 160.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.601 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.506 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -84.51 -29.69 25.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 1.048 HG11 ' CE2' ' A' ' 60' ' ' TRP . 55.3 t -95.39 -66.34 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -54.83 -39.96 69.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.36 19.61 79.37 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.472 ' CG ' ' N ' ' A' ' 34' ' ' SER . 21.7 t60 -122.99 162.67 21.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 0.722 . . . . 0.0 109.627 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.472 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 1.0 OUTLIER -42.34 142.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.8 mtp -98.33 -60.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.1 t -60.65 -47.68 85.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.415 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.436 ' HB2' ' CB ' ' A' ' 34' ' ' SER . 3.5 m-80 -54.32 125.63 20.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 0.0 109.217 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.697 HG21 HD11 ' A' ' 44' ' ' ILE . 17.3 t -116.17 117.23 39.22 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 146.19 32.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.778 . . . . 0.0 111.044 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.99 131.66 47.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 109.274 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.33 2.15 59.08 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.521 ' HG2' HG12 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -108.17 151.51 25.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.584 0.814 . . . . 0.0 111.042 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -131.08 165.19 23.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.183 . . . . 0.0 110.238 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.697 HD11 HG21 ' A' ' 38' ' ' VAL . 3.0 mt -115.92 152.61 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -149.88 136.96 19.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.175 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.527 HG22 ' HD2' ' A' ' 139' ' ' TYR . 71.0 mt -114.83 138.4 45.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -148.88 147.53 28.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 111.077 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -129.47 115.02 16.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 0.0 109.34 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.775 ' HB2' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -120.74 -176.73 3.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 111.033 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.79 -78.96 0.07 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.9 t -77.84 179.89 6.41 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.526 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -127.82 -43.49 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.675 ' HB3' HD23 ' A' ' 190' ' ' LEU . 14.0 m0 -71.45 -34.25 70.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.185 . . . . 0.0 108.109 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.11 -48.98 7.2 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.545 1.153 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.775 HG11 ' HB2' ' A' ' 49' ' ' MET . 70.9 t -63.13 -51.18 74.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HB2' HG11 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -55.22 -50.43 69.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.342 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -69.07 -26.77 65.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.416 1.073 . . . . 0.0 110.321 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.447 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -68.33 -33.76 74.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.584 1.177 . . . . 0.0 109.335 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.72 ' CE2' HG12 ' A' ' 55' ' ' VAL . 16.8 m-85 -68.42 -47.82 66.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 1.048 ' CE2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -67.37 -55.85 12.09 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.525 ' N ' ' CG ' ' A' ' 60' ' ' TRP . 2.7 mt-30 -48.81 -22.25 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.248 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.835 HD13 ' HD2' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -72.87 142.64 83.39 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.835 ' HD2' HD13 ' A' ' 62' ' ' LEU . 18.4 Cg_endo -75.01 116.94 4.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.451 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 122.81 -17.52 8.18 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.529 1.143 . . . . 0.0 111.06 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.689 HG21 ' O ' ' A' ' 59' ' ' PHE . 63.3 t -88.39 125.38 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 0.798 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.44 ' HB2' ' HE2' ' A' ' 42' ' ' MET . 0.2 OUTLIER -79.1 -56.86 4.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.932 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.4 p -152.31 166.32 32.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.101 . . . . 0.0 109.945 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' ' 97' ' ' ARG . 71.5 p -144.04 149.68 37.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 0.0 110.37 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -128.02 138.66 52.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.887 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -97.79 139.1 34.16 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.412 ' CA ' ' O ' ' A' ' 180' ' ' TYR . . . -166.21 -162.97 18.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -142.78 163.37 32.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 0.0 111.053 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.475 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 10.0 t -168.71 160.46 10.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 110.397 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.33 -20.25 49.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.528 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -70.7 -178.75 26.75 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.476 ' HB2' ' CB ' ' A' ' 14' ' ' ALA . 37.5 m-85 -115.09 -18.6 11.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 15' ' ' LEU . 27.7 m -74.83 128.57 85.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 110.37 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 79' ' ' ASN . 18.1 Cg_endo -75.01 119.89 5.84 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.443 1.759 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 78' ' ' PRO . 8.6 t-20 40.0 65.6 3.7 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.561 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.2 Cg_endo -75.02 176.09 10.38 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.544 1.813 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.498 HG23 ' CE ' ' A' ' 22' ' ' MET . 23.5 m -102.2 159.94 14.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 110.34 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -52.82 -48.62 66.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -36.91 75.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -70.6 -41.45 72.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.56 -46.06 76.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -29.36 68.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.423 1.077 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.1 t -71.36 -39.89 70.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.8 12.43 57.97 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.505 1.128 . . . . 0.0 111.044 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.724 ' C ' HG11 ' A' ' 9' ' ' VAL . 35.8 m-20 -84.29 5.75 25.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.3 p -113.38 -25.51 8.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.356 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.21 29.55 66.32 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.481 1.113 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.561 ' CD2' ' HG3' ' A' ' 80' ' ' PRO . 18.6 m-70 -82.99 155.52 23.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 109.623 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 73' ' ' THR . . . -112.55 142.31 45.28 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.72 110.81 7.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -135.03 153.75 51.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.887 HG12 ' HA ' ' A' ' 70' ' ' ALA . 34.8 m -140.03 149.85 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 179' ' ' PHE . 2.1 ttm180 -93.38 145.07 24.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.529 HG12 ' CG ' ' A' ' 59' ' ' PHE . 3.5 mp -135.62 117.81 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.587 HG22 ' CG1' ' A' ' 44' ' ' ILE . 58.4 t -110.03 106.34 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 100' ' ' TYR . 9.0 p90 -127.08 177.46 6.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.548 1.155 . . . . 0.0 110.964 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.57 133.05 20.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.4 Cg_endo -75.01 0.55 8.78 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.6 -26.73 15.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 64.3 t -101.49 -50.23 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.796 HD11 ' CD2' ' A' ' 110' ' ' LEU . 3.7 tt -119.3 143.59 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.2 p -115.52 155.52 27.37 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 16.0 p90 -63.36 -24.65 67.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.403 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 2.2 tt0 -65.06 -45.26 86.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.413 ' OE1' ' HA ' ' A' ' 105' ' ' ILE . 6.0 pt20 -72.65 -39.42 67.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.796 ' CD2' HD11 ' A' ' 105' ' ' ILE . 16.0 mt -58.98 -52.0 67.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.358 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.636 HD23 ' N ' ' A' ' 112' ' ' GLN . 0.0 OUTLIER -59.98 -29.18 68.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.636 ' N ' HD23 ' A' ' 111' ' ' LEU . 9.4 mt-30 -72.1 -44.79 62.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -71.92 -34.21 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -61.98 -42.82 99.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.817 ' HZ3' HG21 ' A' ' 171' ' ' THR . 35.3 m95 -75.02 -14.24 60.58 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -86.06 -17.61 34.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.461 ' HB3' ' CE ' ' A' ' 49' ' ' MET . 0.6 OUTLIER -116.76 5.16 13.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.51 175.1 10.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.607 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 36.7 p30 -119.21 157.17 51.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 160.5 39.75 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.496 1.787 . . . . 0.0 111.013 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.56 126.5 33.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.442 ' HG2' ' CB ' ' A' ' 126' ' ' GLN . 0.5 OUTLIER -114.35 -20.99 10.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.336 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.65 -0.04 70.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.76 -61.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 0.0 110.978 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.3 ptt85 -166.95 167.88 14.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.442 ' CB ' ' HG2' ' A' ' 122' ' ' GLN . 8.3 tm0? -132.04 116.45 17.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 126' ' ' GLN . . . 33.62 39.78 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -175.23 173.31 2.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 0.748 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -108.66 97.39 7.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -64.98 169.06 5.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 109.567 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -112.54 137.81 14.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 7.8 p -82.1 -12.77 58.03 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.517 0.775 . . . . 0.0 110.373 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -66.29 -35.54 80.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.417 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 29.0 p90 -126.4 125.22 41.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -130.35 163.68 26.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.0 t -83.88 109.45 17.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.934 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -144.83 148.71 34.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.992 HG22 ' HD3' ' A' ' 140' ' ' PRO . 66.9 mt -111.08 130.49 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.527 ' HD2' HG22 ' A' ' 46' ' ' ILE . 28.0 m-85 -126.18 71.05 69.74 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.992 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.4 Cg_endo -74.89 167.4 27.15 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.551 1.816 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.09 -60.99 1.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.575 1.172 . . . . 0.0 109.293 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.761 HG23 ' HB2' ' A' ' 145' ' ' GLN . 0.1 OUTLIER -56.22 155.38 13.01 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -35.87 2.87 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -65.09 -35.45 81.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.09 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.761 ' HB2' HG23 ' A' ' 142' ' ' THR . 58.3 tt0 -67.8 -49.26 63.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 0.0 110.27 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.42 -35.71 63.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -73.44 -43.26 60.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.65 -46.48 85.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.118 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.466 ' HA ' HD12 ' A' ' 111' ' ' LEU . . . -55.79 -53.31 58.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.54 ' HG2' HD13 ' A' ' 173' ' ' ILE . 7.4 mtm180 -68.25 -29.28 68.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -61.36 -48.32 81.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 156' ' ' PHE . 1.8 p -56.72 -44.62 81.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.96 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.777 HD23 ' N ' ' A' ' 153' ' ' LEU . 0.4 OUTLIER -65.88 -37.39 85.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.593 1.183 . . . . 0.0 109.3 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -49.37 -46.74 47.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 159' ' ' ALA . 0.0 OUTLIER -91.43 -52.58 4.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' A' ' 152' ' ' SER . 10.1 t80 -50.21 -51.35 44.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.984 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.524 ' CB ' ' O ' ' A' ' 153' ' ' LEU . 39.4 tt0 -56.51 -44.08 80.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.83 -28.5 63.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 155' ' ' ARG . . . -65.67 -48.75 71.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.528 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 2.9 ptm -65.73 -32.03 73.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.528 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -68.2 -42.02 80.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.26 -19.39 65.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -82.03 1.87 33.7 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 3.6 t70 72.21 22.46 3.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.19 111.97 24.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.43 -1.87 39.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.62 79.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -49.95 153.27 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.66 140.19 20.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 7.1 p -98.23 1.94 47.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.393 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.817 HG21 ' HZ3' ' A' ' 115' ' ' TRP . 78.6 p -92.26 126.61 37.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.452 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.02 124.52 45.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.54 HD13 ' HG2' ' A' ' 150' ' ' ARG . 2.9 mt -95.35 120.82 45.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -144.82 164.87 29.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -41.84 161.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.493 ' HB1' HD12 ' A' ' 46' ' ' ILE . . . -89.86 86.76 6.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 18.4 p -59.83 160.88 13.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 0.0 110.342 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 98.71 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.503 1.791 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.592 ' CZ ' ' CE1' ' A' ' 181' ' ' TYR . 0.7 OUTLIER -79.0 139.68 38.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . 0.412 ' O ' ' CA ' ' A' ' 71' ' ' GLY . 6.6 m-85 -95.5 123.69 39.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 111.072 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.592 ' CE1' ' CZ ' ' A' ' 179' ' ' PHE . 3.7 m-85 -51.42 157.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -110.48 167.72 10.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.563 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 11.7 tp10 -40.02 146.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -64.75 -24.46 67.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.31 -39.0 68.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 43.6 m-70 -71.88 -44.21 64.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.571 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 0.431 ' HG2' ' HB3' ' A' ' 70' ' ' ALA . 10.9 mt-30 -57.29 125.61 23.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.575 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 4.1 mp0 54.7 47.23 22.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.502 ' HB3' ' CD1' ' A' ' 53' ' ' TRP . 12.2 t80 -85.15 -24.84 27.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 111.058 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.675 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -75.08 -46.27 35.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.356 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.784 ' CG ' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -58.75 -28.98 66.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.557 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -70.41 -31.71 69.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.244 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.7 OUTLIER -136.49 103.67 9.4 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -12.17 21.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -97.55 18.33 15.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -108.91 41.98 2.08 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.507 1.129 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . 0.498 ' O ' ' CG ' ' A' ' 197' ' ' TYR . 1.7 p90 -51.34 129.58 25.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 0.784 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -58.04 3.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 108.314 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 109.15 96.39 2.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -150.06 170.65 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.502 0.766 . . . . 0.0 109.234 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 90.38 -12.5 67.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.546 1.154 . . . . 0.0 111.055 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 117.06 101.48 2.18 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.713 ' C ' HD12 ' A' ' 203' ' ' ILE . 1.4 pp -92.13 166.18 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . 0.452 ' N ' HD12 ' A' ' 203' ' ' ILE . . . -74.0 -89.46 0.18 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 19.1 m -133.71 138.2 51.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 97.7 p -158.26 138.81 12.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.982 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 27.3 mt -82.33 152.51 67.68 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.434 1.084 . . . . 0.0 109.244 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 155.51 42.69 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.514 1.797 . . . . 0.0 111.005 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 178.48 7.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.67 -56.36 22.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.123 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -79.72 -59.0 2.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.473 ' CZ ' ' OD1' ' A' ' 89' ' ' ASP . 11.1 p90 -57.75 165.43 1.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -144.4 99.29 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -105.16 131.81 52.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.582 1.176 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -82.43 64.94 7.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.62 160.41 43.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.627 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.0 tp -53.12 128.84 29.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.48 HG11 ' C ' ' A' ' 89' ' ' ASP . 8.7 p -104.41 150.79 7.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.357 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.95 166.44 16.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.945 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.462 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 18.0 Cg_endo -75.01 -30.57 7.0 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.511 1.795 . . . . 0.0 110.93 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.08 -26.22 60.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.479 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -90.37 -38.86 13.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.229 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.49 113.15 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 13' ' ' ASP . 0.2 OUTLIER -94.37 156.74 38.39 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 99.74 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.523 1.801 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.473 ' H ' HG23 ' A' ' 77' ' ' THR . . . -52.29 -91.77 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -102.18 156.12 17.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 110.247 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -95.05 -36.0 11.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.361 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.439 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 2.1 t -95.2 135.14 23.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.482 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.493 ' N ' HD22 ' A' ' 79' ' ' ASN . 18.1 Cg_endo -75.0 155.2 42.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.774 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.2 ptp -81.77 138.46 46.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.37 35.14 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.566 1.824 . . . . 0.0 111.018 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.512 HG21 ' CB ' ' A' ' 181' ' ' TYR . 25.6 t -130.49 146.02 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.76 150.0 4.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.658 HG22 HD13 ' A' ' 27' ' ' LEU . 3.5 m -81.21 -41.6 22.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.419 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.658 HD13 HG22 ' A' ' 26' ' ' THR . 0.2 OUTLIER -108.21 133.6 52.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.431 1.082 . . . . 0.0 109.367 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.544 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 20.6 t-80 -45.54 157.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.601 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.881 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -84.8 -26.53 27.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.89 HG11 ' CD2' ' A' ' 60' ' ' TRP . 51.8 t -95.67 -67.77 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -55.18 -39.42 69.54 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.511 1.132 . . . . 0.0 109.399 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.56 19.35 76.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.562 ' CG ' ' N ' ' A' ' 34' ' ' SER . 18.6 t60 -126.25 169.86 12.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.658 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.562 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 16.7 m -38.86 138.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.051 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.12 -50.57 4.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 111.021 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.44 HG23 ' N ' ' A' ' 37' ' ' ASN . 6.9 t -67.45 -50.05 60.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 110.431 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.44 ' N ' HG23 ' A' ' 36' ' ' THR . 6.4 t30 -54.84 143.43 25.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.647 HG13 ' HD2' ' A' ' 39' ' ' PRO . 54.4 t -126.32 140.99 38.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.647 ' HD2' HG13 ' A' ' 38' ' ' VAL . 18.7 Cg_endo -74.91 144.86 31.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.491 1.784 . . . . 0.0 111.075 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.23 120.33 9.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.09 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.55 8.58 52.1 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.445 1.091 . . . . 0.0 111.054 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.479 ' SD ' ' CA ' ' A' ' 101' ' ' ASP . 1.8 tpp -105.13 159.52 15.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.23 166.22 23.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.791 ' CG1' HG22 ' A' ' 99' ' ' VAL . 3.3 mt -111.82 154.73 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -145.78 129.9 17.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.507 HD12 ' HB1' ' A' ' 176' ' ' ALA . 55.7 mt -107.78 131.91 56.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -141.74 147.99 38.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.406 ' HB1' ' O ' ' A' ' 94' ' ' GLU . . . -124.87 118.47 26.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.391 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.818 ' HB3' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -129.66 179.14 6.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.408 1.068 . . . . 0.0 111.044 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -56.53 -98.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.105 . . . . 0.0 111.008 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 1.151 ' SG ' ' SG ' ' A' ' 198' ' ' CYS . 6.2 p -73.7 89.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.447 ' CE1' ' CD1' ' A' ' 53' ' ' TRP . 37.8 p90 -58.37 -18.86 30.93 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.938 ' HB3' HD23 ' A' ' 190' ' ' LEU . 0.9 OUTLIER -67.78 -48.42 66.38 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -74.72 -40.72 36.66 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.818 HG21 ' HB3' ' A' ' 49' ' ' MET . 86.7 t -61.98 -57.1 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.464 0.743 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -40.84 50.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.373 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.477 ' O ' ' CG ' ' A' ' 61' ' ' GLN . 32.9 ttt180 -74.13 -29.63 61.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.344 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.56 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -75.12 -38.39 61.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.271 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.586 ' CE2' HG12 ' A' ' 55' ' ' VAL . 2.0 m-85 -58.17 -52.2 66.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 111.021 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.89 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -69.07 -52.0 32.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 108.014 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.587 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 10.6 mm-40 -49.24 -22.12 0.97 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.925 HD13 ' HD2' ' A' ' 63' ' ' PRO . 0.4 OUTLIER -72.38 139.45 81.5 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.925 ' HD2' HD13 ' A' ' 62' ' ' LEU . 18.3 Cg_endo -75.0 114.64 4.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.461 ' HA3' ' CG2' ' A' ' 105' ' ' ILE . . . 126.58 -10.59 7.17 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.514 1.133 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.555 HG21 ' O ' ' A' ' 59' ' ' PHE . 38.1 t -94.63 127.56 46.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -79.86 -56.71 4.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.7 p -152.23 165.01 36.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 110.009 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 81.4 p -136.89 170.53 15.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.426 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.503 ' HB1' ' CD1' ' A' ' 181' ' ' TYR . . . -155.22 131.89 10.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -97.02 139.33 33.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -170.91 -160.36 19.22 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -140.89 164.74 29.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 0.786 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.1 t -166.6 164.72 16.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.37 -19.68 51.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.11 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.524 ' HA3' ' CG ' ' A' ' 92' ' ' HIS . . . -77.25 178.4 51.56 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.462 ' CD1' ' HB3' ' A' ' 11' ' ' PRO . 34.0 m-85 -114.56 -18.62 11.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.789 . . . . 0.0 111.015 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.922 HG21 ' OE2' ' A' ' 84' ' ' GLU . 18.8 m -74.41 122.18 86.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 151.35 39.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 111.041 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.493 HD22 ' N ' ' A' ' 21' ' ' PRO . 0.8 OUTLIER 40.58 63.3 5.61 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 17.9 Cg_endo -75.08 153.88 41.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 57.6 p -114.13 154.15 28.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -49.93 -41.61 46.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -65.65 -32.31 73.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.242 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.922 ' OE2' HG21 ' A' ' 77' ' ' THR . 4.7 tt0 -66.81 -45.35 78.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 39.7 t -54.73 -45.77 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -26.95 68.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 p -67.45 -40.01 85.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.09 10.62 85.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.135 . . . . 0.0 111.036 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.48 ' C ' HG11 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -97.3 9.84 41.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 109.303 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.509 HG22 ' HG2' ' A' ' 84' ' ' GLU . 2.8 p -107.33 -24.35 11.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.369 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.0 14.43 70.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.524 ' CG ' ' HA3' ' A' ' 75' ' ' GLY . 30.4 m-70 -79.19 158.23 27.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 0.0 109.663 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -121.24 161.7 21.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.406 ' O ' ' HB1' ' A' ' 48' ' ' ALA . 63.0 mm-40 -82.87 112.85 20.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.328 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.79 166.01 20.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.365 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.3 t -146.68 139.28 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 179' ' ' PHE . 18.3 ttm180 -97.56 141.65 30.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.523 HG12 ' CG ' ' A' ' 59' ' ' PHE . 4.6 mp -136.11 134.12 50.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.791 HG22 ' CG1' ' A' ' 44' ' ' ILE . 76.3 t -120.01 104.05 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.613 ' CE2' ' CD1' ' A' ' 110' ' ' LEU . 4.6 p90 -126.16 177.72 6.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.479 ' CA ' ' SD ' ' A' ' 42' ' ' MET . 0.6 OUTLIER -106.88 132.66 20.73 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -4.9 16.09 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.575 1.829 . . . . 0.0 110.98 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.88 -17.26 20.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.065 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.1 t -106.24 -47.04 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.816 HD11 ' CD1' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -116.87 152.13 18.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.439 ' N ' HG12 ' A' ' 105' ' ' ILE . 60.6 p -116.71 160.76 20.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.05 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.475 ' CG ' ' HG3' ' A' ' 145' ' ' GLN . 5.7 m-85 -70.62 -31.21 68.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.104 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 109' ' ' GLN . 9.0 pt-20 -63.06 -41.53 99.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.433 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 3.2 pt20 -75.95 -34.92 59.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.344 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.816 ' CD1' HD11 ' A' ' 105' ' ' ILE . 13.1 mt -60.86 -48.74 80.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.17 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.515 ' HB3' ' CE2' ' A' ' 115' ' ' TRP . 5.7 mt -68.4 -33.4 74.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.545 ' HA ' ' CE3' ' A' ' 115' ' ' TRP . 0.4 OUTLIER -53.8 -49.87 67.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.257 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.477 ' CG1' HD11 ' A' ' 58' ' ' LEU . 3.1 t -73.18 -33.33 41.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 118' ' ' HIS . 9.8 t80 -58.74 -49.08 78.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 152' ' ' SER . 3.2 m0 -62.71 -20.91 65.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 108.009 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -80.24 -36.41 34.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.442 ' HB3' ' HE2' ' A' ' 49' ' ' MET . 0.7 OUTLIER -95.53 -3.19 47.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.487 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 24.6 t-80 -77.37 165.18 24.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.562 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.487 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 12.9 t70 -107.91 143.92 28.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.17 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 160.06 40.74 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.429 1.752 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.89 127.02 33.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -110.03 -23.92 11.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 77.11 29.79 56.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -39.69 156.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.522 0.778 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -114.47 178.4 4.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.34 136.36 36.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 99.26 67.18 0.86 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.535 1.147 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -172.94 -170.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 0.718 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -50.51 116.57 1.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -64.92 139.79 58.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.405 1.066 . . . . 0.0 109.632 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -156.55 30.24 0.56 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 10.2 p -84.86 -0.68 54.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 0.732 . . . . 0.0 110.424 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -79.5 -44.22 21.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.598 1.186 . . . . 0.0 110.327 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.469 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 40.4 p90 -117.62 127.17 53.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.13 167.36 20.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.277 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.467 ' CB ' ' CD2' ' A' ' 118' ' ' HIS . 17.7 p -94.53 98.74 11.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 110.055 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.407 ' HB3' ' CE1' ' A' ' 139' ' ' TYR . . . -129.93 160.06 34.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.798 HG22 ' HD3' ' A' ' 140' ' ' PRO . 42.0 mt -126.86 131.0 71.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.422 1.077 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.537 ' CD1' ' N ' ' A' ' 139' ' ' TYR . 3.5 m-85 -128.35 77.96 76.31 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.798 ' HD3' HG22 ' A' ' 138' ' ' ILE . 18.4 Cg_endo -74.94 166.68 28.72 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 176' ' ' ALA . 0.1 OUTLIER -110.63 -59.09 2.0 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 66.4 p -62.22 160.92 28.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -34.75 3.53 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -68.06 -49.85 58.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.346 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.475 ' HG3' ' CG ' ' A' ' 107' ' ' TYR . 12.9 tt0 -55.4 -39.7 70.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.35 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -54.09 46.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.09 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.726 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -60.91 -31.79 71.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -72.18 -50.56 26.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.593 ' HB1' HG21 ' A' ' 138' ' ' ILE . . . -56.55 -57.08 13.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.473 ' CG ' ' HA ' ' A' ' 147' ' ' ALA . 1.1 ppt_? -60.68 -31.67 70.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -61.9 -39.27 91.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 115' ' ' TRP . 4.3 p -72.56 -32.32 65.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.978 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.559 ' O ' HD23 ' A' ' 153' ' ' LEU . 2.7 tt -63.92 -49.08 74.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -69.77 -20.65 63.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -81.22 -54.39 5.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -60.14 -39.69 87.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 160' ' ' MET . 0.3 OUTLIER -62.8 -44.28 96.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.15 -32.54 69.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.9 -48.74 79.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.519 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 7.1 ptm -68.1 -32.16 72.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.519 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -64.34 -35.73 81.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.38 -23.06 66.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -92.36 12.3 23.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 5.2 t0 57.9 34.8 24.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.73 121.45 39.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -88.41 13.02 12.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -87.51 69.68 9.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -66.41 137.19 56.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.31 138.43 21.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 2.1 t -95.49 43.33 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 1.3 m -80.91 125.54 30.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 110.421 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -112.37 136.65 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.252 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 19.9 mt -117.71 123.3 71.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.071 . . . . 0.0 109.276 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -144.88 163.25 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 109.34 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -47.58 163.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.237 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.507 ' HB1' HD12 ' A' ' 46' ' ' ILE . . . -84.71 83.43 8.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 54.5 p -60.67 160.79 17.28 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.377 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 93.64 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.468 1.772 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -80.48 145.44 31.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.953 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -100.46 125.2 46.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 111.047 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.512 ' CB ' HG21 ' A' ' 24' ' ' VAL . 82.4 m-85 -47.26 172.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -118.11 172.02 7.7 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.579 1.174 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.55 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 4.1 tt0 -43.91 141.65 1.57 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -61.42 -23.24 65.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.17 -44.67 71.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . 0.55 ' CD2' ' HB3' ' A' ' 183' ' ' GLU . 43.2 m-70 -76.25 -32.55 58.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.615 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 0.645 ' C ' ' HG2' ' A' ' 188' ' ' GLN . 27.7 mm-40 -45.89 111.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.881 ' OE1' ' HB3' ' A' ' 29' ' ' ALA . 5.1 pt20 37.5 60.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.332 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.734 ' CD1' ' CH2' ' A' ' 53' ' ' TRP . 46.3 t80 -85.48 -24.48 27.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.938 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -63.26 -46.59 86.13 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.507 ' CG ' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -58.91 -28.63 66.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.604 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.44 -28.76 59.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.642 ' ND2' ' CE1' ' A' ' 189' ' ' TYR . 7.4 m-80 -127.91 102.49 22.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.405 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -1.89 11.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.544 1.812 . . . . 0.0 111.06 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . 0.575 ' CD2' ' HB3' ' A' ' 193' ' ' ASN . 1.0 OUTLIER -94.96 -8.42 37.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . 0.557 ' O ' HD11 ' A' ' 190' ' ' LEU . . . -82.0 91.12 1.49 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.83 149.72 43.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 1.151 ' SG ' ' SG ' ' A' ' 51' ' ' CYS . 7.0 t -83.9 -66.0 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 108.321 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . 89.95 56.41 1.84 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 30.7 mt -79.35 -62.24 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 0.753 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 57.46 167.17 0.1 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -138.89 150.37 21.15 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 2.5 tt -86.87 142.3 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.303 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -99.92 -73.3 1.06 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.445 1.091 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 10.8 m -92.05 131.65 38.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.753 . . . . 0.0 109.254 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 64.6 p -121.26 174.78 6.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.943 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 33.0 mt -70.21 157.05 90.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 169.63 22.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.465 1.771 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 178.16 7.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -153.89 133.6 12.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.73 158.46 28.28 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.585 1.178 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -82.33 134.59 35.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.08 130.37 48.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -77.13 156.96 31.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.66 167.29 10.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.441 ' CD2' ' H ' ' A' ' 7' ' ' HIS . 0.3 OUTLIER -71.52 129.77 39.58 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.526 1.141 . . . . 0.0 109.606 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.735 HD22 ' O ' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -154.79 -179.78 8.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.735 ' O ' HD22 ' A' ' 8' ' ' LEU . 7.7 p -53.54 144.78 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.94 168.88 6.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -33.72 4.33 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.13 -26.22 68.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.418 ' HB3' ' CG2' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -95.41 -35.82 11.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.53 145.79 17.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -99.76 153.48 37.75 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.22 2.67 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.516 1.798 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.429 ' CA ' HG23 ' A' ' 77' ' ' THR . . . -58.18 -167.64 0.14 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.439 1.087 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.55 166.26 18.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 0.738 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -95.29 31.27 1.98 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.0 m -120.82 99.34 47.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 151.83 39.84 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.501 1.79 . . . . 0.0 111.043 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 10.6 tpp -70.98 133.95 85.8 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.434 1.084 . . . . 0.0 110.975 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 130.81 13.66 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.473 1.775 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.821 HG21 ' HB3' ' A' ' 181' ' ' TYR . 21.4 t -129.79 140.37 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.15 163.45 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.8 m -76.94 -31.28 56.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.399 1.062 . . . . 0.0 110.372 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.42 ' CB ' ' C ' ' A' ' 33' ' ' HIS . 0.4 OUTLIER -136.85 154.12 50.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.073 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.576 ' CE1' ' HB ' ' A' ' 30' ' ' VAL . 11.8 t-80 -50.41 157.03 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.174 . . . . 0.0 109.592 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.663 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -85.52 -31.34 22.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.828 HG11 ' CD2' ' A' ' 60' ' ' TRP . 31.8 t -84.76 -69.25 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 66' ' ' TYR . 2.1 t-20 -55.19 -40.35 70.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.27 23.04 66.57 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.555 ' CD2' ' O ' ' A' ' 34' ' ' SER . 5.3 t60 -129.68 162.09 29.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 0.733 . . . . 0.0 109.646 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.555 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 48.9 m -47.59 139.97 6.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.033 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.5 mtp -98.31 -65.15 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 110.966 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.2 t -49.99 -22.69 1.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.415 ' HB2' ' CB ' ' A' ' 34' ' ' SER . 20.0 m-20 -75.67 129.99 38.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.252 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.676 HG21 HD11 ' A' ' 44' ' ' ILE . 24.6 t -130.63 105.28 15.7 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.239 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 143.82 29.46 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.437 1.756 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.81 133.12 47.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.54 -7.37 32.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 4.0 mtt -115.04 164.72 13.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 110.951 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.18 167.74 20.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 110.297 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.77 ' CG1' HG22 ' A' ' 99' ' ' VAL . 3.2 mp -118.77 147.85 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 98' ' ' ILE . . . -125.36 128.89 48.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.619 1.199 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.516 HG22 ' CD2' ' A' ' 139' ' ' TYR . 26.1 mt -122.72 123.98 69.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.465 ' HE1' HD13 ' A' ' 98' ' ' ILE . 1.5 p90 -156.96 161.92 39.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.79 140.77 52.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.484 ' HE1' ' HB3' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -146.4 165.9 27.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.956 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -36.84 -72.29 0.16 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.564 1.165 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.64 -179.31 6.37 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.462 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 2.6 p90 -145.8 -44.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.824 ' HB3' HD23 ' A' ' 190' ' ' LEU . 17.0 m0 -67.58 -43.29 80.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 108.02 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.72 -37.7 25.83 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.882 ' HA ' HD23 ' A' ' 58' ' ' LEU . 39.2 t -52.36 -57.12 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.445 0.733 . . . . 0.0 109.281 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 14.7 pt-20 -63.44 -41.37 98.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.679 ' HE ' HD12 ' A' ' 190' ' ' LEU . 2.0 tmm_? -61.42 -34.69 75.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.882 HD23 ' HA ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -75.36 -20.23 59.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.772 ' HD1' HG21 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -78.76 -59.71 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.828 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -56.21 -51.43 68.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 108.022 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.583 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 1.6 mm-40 -48.57 -22.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 63' ' ' PRO . 0.3 OUTLIER -76.63 137.75 66.9 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 62' ' ' LEU . 18.5 Cg_endo -74.93 111.68 3.38 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.578 1.831 . . . . 0.0 111.043 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.15 -10.43 5.36 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.14 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.772 HG21 ' HD1' ' A' ' 59' ' ' PHE . 74.6 t -95.26 134.92 30.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 0.748 . . . . 0.0 109.363 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.456 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 0.5 OUTLIER -85.22 -57.38 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 111.044 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.0 m -150.94 166.89 29.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.914 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.485 ' H ' ' CD2' ' A' ' 28' ' ' HIS . 30.7 p -140.32 136.69 33.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.431 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.499 ' HB3' ' CG ' ' A' ' 97' ' ' ARG . . . -121.96 144.01 49.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.704 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -111.1 139.97 46.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.705 ' HA2' ' HB2' ' A' ' 182' ' ' ALA . . . -172.13 -155.94 11.71 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.577 1.173 . . . . 0.0 111.011 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.489 ' CD1' ' HG2' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -147.07 168.02 22.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 110.968 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.9 t -173.17 168.63 4.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.457 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.63 -19.62 51.65 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.542 1.151 . . . . 0.0 111.038 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.57 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -76.18 -171.79 32.86 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.501 ' HB2' HD21 ' A' ' 8' ' ' LEU . 44.2 t80 -115.13 -28.96 6.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.429 HG23 ' CA ' ' A' ' 17' ' ' GLY . 6.7 m -74.64 120.81 83.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 143.76 29.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.541 1.811 . . . . 0.0 110.959 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.435 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 34.2 m120 47.52 63.39 10.28 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.568 ' HG3' ' CD2' ' A' ' 92' ' ' HIS . 18.1 Cg_endo -75.03 170.21 20.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.529 1.805 . . . . 0.0 111.005 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.835 ' O ' HG23 ' A' ' 85' ' ' VAL . 56.9 m -117.2 163.0 16.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.632 ' CE1' ' CE1' ' A' ' 186' ' ' HIS . 36.8 t80 -61.96 -46.86 87.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.996 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -35.57 79.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -69.26 -45.23 70.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.835 HG23 ' O ' ' A' ' 81' ' ' THR . 72.6 t -57.99 -43.04 84.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.95 -32.2 65.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.21 -39.95 73.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.149 . . . . 0.0 109.938 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.43 6.86 70.2 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.24 -0.61 46.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.1 p -89.1 -23.65 22.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.415 ' HA3' HG12 ' A' ' 9' ' ' VAL . . . 67.35 11.0 58.57 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.103 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.57 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 48.4 m-70 -85.81 147.5 26.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.642 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -116.2 153.16 32.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -69.95 111.44 5.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 71' ' ' GLY . . . -131.88 156.68 45.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.704 HG12 ' HA ' ' A' ' 70' ' ' ALA . 34.8 m -143.92 140.13 25.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.499 ' CG ' ' HB3' ' A' ' 69' ' ' ALA . 10.4 ptm180 -109.55 124.65 51.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.323 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.668 HG21 ' CD1' ' A' ' 59' ' ' PHE . 3.3 mp -116.28 134.44 59.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.363 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.77 HG22 ' CG1' ' A' ' 44' ' ' ILE . 61.3 t -108.59 106.13 20.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.458 ' HE2' ' HB2' ' A' ' 45' ' ' ALA . 42.5 p90 -121.83 178.79 4.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.84 125.94 31.95 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.5 Cg_endo -74.94 -3.72 14.34 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.12 -21.51 17.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.0 t -104.59 -33.24 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.771 HD13 ' N ' ' A' ' 106' ' ' SER . 0.2 OUTLIER -145.5 131.91 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.157 . . . . 0.0 109.272 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.771 ' N ' HD13 ' A' ' 105' ' ' ILE . 9.9 p -92.21 161.37 14.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.045 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.625 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 2.3 p90 -68.8 -32.99 73.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.961 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.625 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -57.0 -47.62 80.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.516 ' HB2' HD11 ' A' ' 105' ' ' ILE . 51.5 mt-30 -59.84 -32.55 70.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.6 mt -73.98 -31.55 63.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.69 -49.86 74.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.487 ' HG3' ' N ' ' A' ' 113' ' ' VAL . 0.1 OUTLIER -64.01 -34.2 77.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.487 ' N ' ' HG3' ' A' ' 112' ' ' GLN . 2.2 t -61.44 -52.4 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 118' ' ' HIS . 16.1 m-30 -55.61 -48.73 74.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.522 ' HB3' ' CE1' ' A' ' 156' ' ' PHE . 63.5 m95 -64.26 -15.49 60.23 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.14 -32.5 17.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.484 ' HB3' ' HE1' ' A' ' 49' ' ' MET . 27.1 t-20 -98.76 0.05 43.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -77.74 164.43 25.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.614 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.527 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 0.2 OUTLIER -113.44 152.53 45.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 160.77 39.58 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.531 1.806 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.62 133.42 34.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -111.93 -24.97 9.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.262 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 124' ' ' MET . . . 83.73 30.47 29.41 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.46 1.1 . . . . 0.0 111.044 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 123' ' ' GLY . 0.3 OUTLIER -34.13 -60.17 0.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 0.726 . . . . 0.0 110.913 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.67 159.87 19.33 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.512 1.132 . . . . 0.0 110.357 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.99 118.02 20.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.348 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 39.7 65.0 0.94 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.1 . . . . 0.0 110.998 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -142.36 -59.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -159.1 98.07 1.43 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -148.28 106.25 3.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.581 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -131.41 36.32 2.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.456 1.098 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.602 ' O ' ' CE1' ' A' ' 134' ' ' TYR . 7.1 p -79.79 -12.11 59.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 0.809 . . . . 0.0 110.47 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.604 ' HG2' HG12 ' A' ' 85' ' ' VAL . 2.8 mp0 60.96 35.27 19.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 132' ' ' THR . 8.3 m-85 -128.96 126.24 39.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -145.42 108.86 4.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.616 1.197 . . . . 0.0 110.302 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.65 98.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.032 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -135.91 164.42 28.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.372 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.787 HG22 ' HD3' ' A' ' 140' ' ' PRO . 81.3 mt -124.01 135.09 64.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.516 ' CD2' HG22 ' A' ' 46' ' ' ILE . 33.5 m-85 -130.42 77.38 76.12 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.983 ' O ' ' HB2' ' A' ' 176' ' ' ALA . 18.2 Cg_endo -74.91 168.14 25.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.557 1.819 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 141' ' ' LEU . 4.0 mm? -101.18 -46.1 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 4.9 p -87.96 161.26 44.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -35.33 3.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.41 -36.32 71.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.517 ' HG2' ' CG ' ' A' ' 107' ' ' TYR . 34.3 mt-30 -73.84 -39.7 63.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.59 -42.91 77.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.407 1.067 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -68.22 -34.8 76.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.478 ' O ' ' HB3' ' A' ' 151' ' ' ALA . . . -75.62 -41.25 54.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.393 1.058 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.8 -59.2 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.259 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.493 ' HG3' ' N ' ' A' ' 151' ' ' ALA . 0.0 OUTLIER -55.86 -27.09 50.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.493 ' N ' ' HG3' ' A' ' 150' ' ' ARG . . . -70.59 -45.54 65.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 79.8 p -69.44 -43.3 73.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.037 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.643 ' O ' HD23 ' A' ' 153' ' ' LEU . 3.9 tt -59.12 -51.07 71.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -60.06 -20.87 60.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 110.282 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.95 -58.61 2.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.226 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 115' ' ' TRP . 4.5 t80 -53.19 -38.09 62.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 160' ' ' MET . 5.3 tt0 -64.11 -48.42 76.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.286 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -71.6 -30.27 65.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.315 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.27 -48.25 78.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.59 ' HG3' ' N ' ' A' ' 161' ' ' LEU . 6.9 ptm -67.16 -31.03 71.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.937 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.59 ' N ' ' HG3' ' A' ' 160' ' ' MET . 0.1 OUTLIER -65.75 -35.79 81.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.03 -18.03 63.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 160' ' ' MET . . . -77.56 -4.1 44.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 2.1 t70 79.38 32.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -109.14 123.98 50.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 168' ' ' HIS . 0.3 OUTLIER -77.32 -38.54 50.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.16 82.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 166' ' ' ASP . 4.6 p-80 -73.41 147.68 44.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.568 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.29 127.06 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 170' ' ' THR . 20.8 m -91.06 49.67 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.454 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 95.0 m -85.71 132.17 34.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.357 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -122.07 140.92 51.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.238 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 13.5 mt -114.17 122.33 68.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -129.7 166.51 19.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -53.38 165.1 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.983 ' HB2' ' O ' ' A' ' 140' ' ' PRO . . . -81.46 84.9 6.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . 0.435 ' H ' HG23 ' A' ' 177' ' ' THR . 18.4 p -65.32 164.82 21.02 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 115.89 4.42 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.539 1.81 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.566 ' CD1' ' C ' ' A' ' 179' ' ' PHE . 0.2 OUTLIER -77.88 143.18 37.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -119.38 107.56 13.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 110.954 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.821 ' HB3' HG21 ' A' ' 24' ' ' VAL . 28.9 m-85 -38.14 157.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.705 ' HB2' ' HA2' ' A' ' 71' ' ' GLY . . . -118.6 174.9 5.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.551 ' HB3' ' CD2' ' A' ' 186' ' ' HIS . 1.4 tp10 -37.76 130.93 1.04 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -52.94 -23.28 6.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.85 -43.64 83.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . 0.632 ' CE1' ' CE1' ' A' ' 82' ' ' TYR . 89.3 m-70 -62.52 -33.51 75.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.633 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -52.74 110.59 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 110.302 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.663 ' OE1' ' HB3' ' A' ' 29' ' ' ALA . 3.4 mp0 50.24 58.91 4.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.747 ' CE1' ' CZ3' ' A' ' 53' ' ' TRP . 7.0 t80 -85.45 -25.66 26.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.824 HD23 ' HB3' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -76.43 -46.79 25.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.32 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -31.66 65.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.589 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -65.98 -35.67 81.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.4 OUTLIER -140.08 105.33 6.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -4.38 15.33 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.555 1.818 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -98.04 27.45 4.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.591 1.182 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -120.66 45.12 1.27 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -63.83 132.4 50.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 0.722 . . . . 0.0 111.037 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 2.8 m -74.11 -68.52 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 108.335 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . 0.437 ' CA ' HD12 ' A' ' 203' ' ' ILE . . . 139.76 114.16 1.15 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 78.1 mt -136.5 -49.83 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -79.09 74.79 2.14 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.588 1.18 . . . . 0.0 111.041 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . 42.7 86.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . 0.437 HD12 ' CA ' ' A' ' 199' ' ' GLY . 16.5 tt -86.37 142.01 13.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.603 0.825 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -72.34 -94.21 0.09 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.13 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 74.2 t -129.9 -64.77 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.57 0.806 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.13 154.45 25.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 8.0 mt -78.07 130.64 71.93 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 114.6 4.06 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.541 1.811 . . . . 0.0 111.047 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 178.56 7.09 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.454 1.765 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -120.57 149.46 42.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.251 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.9 104.33 8.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -157.01 142.64 17.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -159.18 126.96 4.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -146.24 97.09 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.22 115.46 6.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.43 134.15 18.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.617 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 tp -70.16 123.85 22.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.222 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.7 p -100.06 147.88 7.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.52 170.07 17.9 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.038 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.629 ' HA ' ' CD2' ' A' ' 76' ' ' TYR . 18.3 Cg_endo -74.94 -39.09 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.67 -32.76 58.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.235 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.01 -39.41 79.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.21 102.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.49 153.28 38.05 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 105.89 2.17 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.511 1.795 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.21 -37.79 31.25 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.436 1.085 . . . . 0.0 111.003 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.94 149.67 43.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -108.08 -32.73 7.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.0 p -95.23 144.72 28.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.095 . . . . 0.0 110.364 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 150.37 38.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 111.02 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -70.61 142.65 89.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 140.13 24.94 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.667 HG21 ' CB ' ' A' ' 181' ' ' TYR . 85.8 t -134.74 140.5 45.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.81 164.69 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.511 HG22 HD13 ' A' ' 27' ' ' LEU . 7.3 m -91.94 -44.52 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.437 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.597 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -110.6 137.76 47.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.582 ' CE1' ' HG2' ' A' ' 188' ' ' GLN . 17.6 t-80 -52.67 156.53 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.584 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.513 ' HB3' ' OE1' ' A' ' 188' ' ' GLN . . . -86.1 -24.57 26.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.061 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 1.052 HG11 ' CD2' ' A' ' 60' ' ' TRP . 41.4 t -95.27 -69.27 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.1 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 0.5 OUTLIER -56.2 -39.89 73.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 28' ' ' HIS . . . 78.06 18.49 76.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.433 ' O ' ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -118.79 171.33 8.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.559 0.799 . . . . 0.0 109.613 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.434 ' HB3' ' CB ' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -38.73 149.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.968 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' THR . 27.1 mmm -98.58 -64.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.2 t -77.84 -32.67 52.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.409 1.068 . . . . 0.0 110.431 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.434 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.3 OUTLIER -61.85 128.99 38.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 1.108 HG21 HD11 ' A' ' 44' ' ' ILE . 72.0 t -127.54 113.58 21.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 109.327 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 139.78 24.85 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.557 1.819 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -43.66 128.39 5.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.33 -10.62 31.05 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.493 1.12 . . . . 0.0 110.952 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.581 ' HB3' HG13 ' A' ' 38' ' ' VAL . 31.7 tpp -104.72 147.35 27.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.762 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -128.49 158.98 36.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 1.108 HD11 HG21 ' A' ' 38' ' ' VAL . 3.4 mt -114.63 157.52 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.606 ' HB3' HG22 ' A' ' 98' ' ' ILE . . . -150.61 135.21 17.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.579 HD12 ' HB1' ' A' ' 176' ' ' ALA . 37.8 mt -103.99 131.65 52.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.55 ' HE1' ' HB1' ' A' ' 45' ' ' ALA . 30.2 m-85 -143.72 149.53 37.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -132.64 120.25 21.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.596 ' SD ' ' CZ ' ' A' ' 114' ' ' PHE . 0.2 OUTLIER -129.61 -172.25 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -63.34 -70.85 0.95 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.517 1.135 . . . . 0.0 110.983 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.5 m -63.71 178.22 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.484 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -129.04 -63.65 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.591 ' CE3' ' CD1' ' A' ' 189' ' ' TYR . 2.0 m0 -73.87 -36.86 64.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 108.021 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.1 -45.57 91.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.839 ' HA ' HD23 ' A' ' 58' ' ' LEU . 89.7 t -54.2 -62.48 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.773 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.79 -35.14 77.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 110.247 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.516 ' CB ' ' O ' ' A' ' 53' ' ' TRP . 2.3 ttt-85 -65.69 -30.91 71.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.839 HD23 ' HA ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -76.99 -20.47 56.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.828 ' CZ ' HG23 ' A' ' 98' ' ' ILE . 14.8 t80 -83.93 -58.3 2.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 1.052 ' CD2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -53.9 -51.46 63.64 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.535 ' HG2' ' CE2' ' A' ' 60' ' ' TRP . 6.7 mm100 -53.55 -18.41 2.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.454 HD23 ' N ' ' A' ' 63' ' ' PRO . 7.3 tt -84.61 137.11 38.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.454 ' N ' HD23 ' A' ' 62' ' ' LEU . 18.3 Cg_endo -74.97 107.91 2.59 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.434 1.755 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.426 ' HA3' ' HB ' ' A' ' 105' ' ' ILE . . . 141.03 -12.04 2.84 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.601 1.188 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.679 HG22 ' CE2' ' A' ' 59' ' ' PHE . 77.2 t -87.38 135.21 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.555 ' CD1' ' HE1' ' A' ' 42' ' ' MET . 3.1 t80 -89.31 -46.13 8.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 1.082 . . . . 0.0 111.014 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.3 p -159.66 168.02 27.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.063 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.479 ' H ' ' CD2' ' A' ' 28' ' ' HIS . 10.6 p -149.0 140.45 23.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.396 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.7 ' HB3' ' HB3' ' A' ' 97' ' ' ARG . . . -137.27 159.97 40.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.611 ' HA ' HG12 ' A' ' 96' ' ' VAL . . . -123.09 139.62 53.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -162.7 -165.79 20.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.411 ' O ' ' HB ' ' A' ' 73' ' ' THR . 16.6 m-85 -130.73 159.41 37.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.426 HG22 ' CB ' ' A' ' 95' ' ' ALA . 7.7 t -175.75 165.62 3.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.387 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.31 -17.55 56.73 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.535 ' HA3' ' CD2' ' A' ' 92' ' ' HIS . . . -88.65 -174.38 47.08 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.629 ' CD2' ' HA ' ' A' ' 11' ' ' PRO . 14.1 m-85 -113.61 -21.45 10.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.443 ' O ' ' NE2' ' A' ' 92' ' ' HIS . 1.4 m -75.3 117.7 65.14 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 110.354 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 147.53 33.8 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.526 1.803 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.43 ' N ' ' HD3' ' A' ' 80' ' ' PRO . 81.6 m-20 45.56 63.95 8.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 79' ' ' ASN . 18.2 Cg_endo -74.98 164.16 33.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.0 m -113.29 153.33 28.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.422 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -53.86 -43.87 69.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.11 -42.64 75.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.37 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -65.58 -44.23 87.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.264 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.7 t -59.09 -38.0 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.102 . . . . 0.0 109.339 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.3 p -70.89 -32.08 68.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.069 . . . . 0.0 110.05 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 73.5 m -62.19 -37.67 86.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.99 12.72 61.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.591 1.182 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.52 9.16 35.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.3 p -113.17 -25.15 9.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.428 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.26 22.39 72.73 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.562 1.164 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.535 ' CD2' ' HA3' ' A' ' 75' ' ' GLY . 23.6 m-70 -91.17 156.38 17.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 0.761 . . . . 0.0 109.613 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -115.6 153.54 31.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.409 ' OE1' ' O ' ' A' ' 49' ' ' MET . 0.0 OUTLIER -77.6 109.95 12.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.284 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.426 ' CB ' HG22 ' A' ' 73' ' ' THR . . . -123.32 163.22 21.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.611 HG12 ' HA ' ' A' ' 70' ' ' ALA . 19.2 m -140.67 160.4 24.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.071 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.7 ' HB3' ' HB3' ' A' ' 69' ' ' ALA . 24.8 ttp180 -99.63 127.77 45.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.828 HG23 ' CZ ' ' A' ' 59' ' ' PHE . 0.8 OUTLIER -115.65 117.87 56.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.367 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 66' ' ' TYR . 15.4 t -119.97 106.15 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.492 ' CD2' HD11 ' A' ' 110' ' ' LEU . 47.4 p90 -133.68 173.96 10.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.474 ' C ' ' H ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -117.23 130.07 24.89 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 105' ' ' ILE . 18.0 Cg_endo -75.03 18.43 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.788 . . . . 0.0 110.991 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.474 ' H ' ' C ' ' A' ' 101' ' ' ASP . 0.3 OUTLIER -103.96 -29.19 11.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.997 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 68.8 t -109.56 -30.17 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.256 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.521 HD13 ' H ' ' A' ' 106' ' ' SER . 0.1 OUTLIER -145.65 130.84 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.521 ' H ' HD13 ' A' ' 105' ' ' ILE . 1.4 p -86.68 164.32 16.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.616 ' CD1' ' N ' ' A' ' 108' ' ' GLU . 36.0 p90 -71.36 -45.47 62.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.616 ' N ' ' CD1' ' A' ' 107' ' ' TYR . 3.4 pt-20 -52.57 -29.36 25.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.07 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.496 ' HB2' ' CD1' ' A' ' 105' ' ' ILE . 40.8 mt-30 -71.46 -42.08 68.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.492 HD11 ' CD2' ' A' ' 100' ' ' TYR . 38.2 mt -52.59 -52.89 53.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.242 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 108' ' ' GLU . 2.6 mt -52.82 -42.14 64.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.75 -49.47 65.42 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.564 ' CG1' HD11 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -69.85 -48.39 64.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.596 ' CZ ' ' SD ' ' A' ' 49' ' ' MET . 3.5 t80 -53.94 -48.96 69.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.978 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.507 ' HH2' HG21 ' A' ' 171' ' ' THR . 42.6 m95 -64.68 -21.83 66.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.044 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -83.91 -35.99 23.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -92.85 2.03 56.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.58 ' CE1' ' O ' ' A' ' 119' ' ' ASP . 0.0 OUTLIER -75.53 168.19 20.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.615 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.58 ' O ' ' CE1' ' A' ' 118' ' ' HIS . 19.2 m-20 -109.91 151.23 42.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 158.71 42.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.511 1.795 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 167' ' ' ARG . . . -87.08 142.21 28.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -129.58 46.89 2.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.366 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 78.44 27.96 56.41 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -47.05 103.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.767 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.72 177.11 7.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -94.76 134.04 37.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 144.91 -64.2 0.46 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.452 1.095 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -150.17 79.87 1.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -85.14 173.17 10.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.242 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -77.73 -38.3 47.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.562 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -173.03 103.61 0.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 42.5 p -78.44 -22.96 46.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 0.783 . . . . 0.0 110.446 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -48.49 -37.76 18.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 0.0 110.27 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' TYR . . . . . 0.489 ' CD1' ' O ' ' A' ' 134' ' ' TYR . 35.2 p90 -121.01 127.78 52.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -141.58 150.17 41.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.212 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.43 92.32 7.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.041 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -127.37 159.25 35.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 14.0 mt -120.57 135.26 61.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.371 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -129.9 77.79 76.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 161.9 37.84 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.49 1.784 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.671 HD12 ' HB3' ' A' ' 176' ' ' ALA . 10.9 tp -109.51 -54.94 2.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.1 p -69.97 161.26 76.45 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.122 . . . . 0.0 110.411 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -41.0 0.73 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.511 1.795 . . . . 0.0 111.054 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -61.77 -34.06 75.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.365 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -70.77 -41.82 71.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -40.84 97.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.518 ' O ' ' HB2' ' A' ' 151' ' ' ALA . . . -69.25 -38.72 78.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -70.43 -45.81 65.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.48 -56.54 19.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.21 -31.36 72.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 147' ' ' ALA . . . -64.28 -39.08 93.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 22.1 p -73.94 -36.59 64.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.02 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.894 HD11 HG23 ' A' ' 171' ' ' THR . 4.6 tt -59.45 -52.4 65.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -57.67 -32.8 67.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.43 -35.8 46.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.184 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.441 ' CE2' ' CE3' ' A' ' 115' ' ' TRP . 22.5 t80 -70.4 -52.22 23.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -63.24 -35.71 81.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.0 -43.75 82.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.51 -44.75 86.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.586 1.179 . . . . 0.0 109.353 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' MET . . . . . 0.428 ' O ' ' HB3' ' A' ' 163' ' ' ALA . 7.1 ttp -60.16 -47.83 84.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 111.049 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.497 HD22 ' O ' ' A' ' 165' ' ' ASP . 0.1 OUTLIER -64.08 -34.97 79.25 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.77 -18.86 63.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.592 1.183 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 164' ' ' ASP . . . -83.53 -6.54 59.48 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.401 1.063 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 163' ' ' ALA . 1.1 t70 81.97 30.4 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' ASP . . . . . 0.497 ' O ' HD22 ' A' ' 161' ' ' LEU . 57.7 m-20 -103.06 122.69 45.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.36 12.67 15.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.414 1.072 . . . . 0.0 109.365 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 0.7 OUTLIER -87.07 72.7 9.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.503 1.127 . . . . 0.0 110.345 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 134.26 54.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.562 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 1.2 mp -75.08 139.37 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 78.9 m -97.59 35.57 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.395 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.894 HG23 HD11 ' A' ' 153' ' ' LEU . 2.6 t -78.39 132.71 37.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.448 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -118.86 140.5 49.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.286 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 76.4 mt -108.74 122.67 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -134.99 167.11 21.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 177' ' ' THR . 9.0 p-10 -60.61 150.6 31.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' ALA . . . . . 0.671 ' HB3' HD12 ' A' ' 141' ' ' LEU . . . -65.72 75.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . 0.531 ' O ' HD13 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -61.74 160.29 28.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 108.5 2.73 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 97' ' ' ARG . 1.3 p90 -93.99 144.68 25.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' TYR . . . . . 0.407 ' O ' ' O ' ' A' ' 181' ' ' TYR . 20.2 m-85 -93.3 119.23 32.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.45 1.094 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' TYR . . . . . 0.667 ' CB ' HG21 ' A' ' 24' ' ' VAL . 77.8 m-85 -46.68 174.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.972 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' ALA . . . -126.78 170.33 12.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 182' ' ' ALA . 1.9 mm-40 -38.1 132.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -52.86 -22.86 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.92 -45.01 87.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -60.8 -46.18 91.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.525 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 0.54 ' OE1' ' HB3' ' A' ' 70' ' ' ALA . 0.0 OUTLIER -52.6 115.43 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' GLN . . . . . 0.582 ' HG2' ' CE1' ' A' ' 28' ' ' HIS . 4.9 mp0 53.37 54.65 9.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' TYR . . . . . 0.591 ' CD1' ' CE3' ' A' ' 53' ' ' TRP . 29.3 t80 -85.48 -28.27 25.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.418 ' HB3' ' CD ' ' A' ' 57' ' ' ARG . 0.6 OUTLIER -76.85 -46.47 24.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.249 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' HIS . . . . . 0.4 ' CD2' ' HB3' ' A' ' 188' ' ' GLN . 0.0 OUTLIER -56.4 -28.68 60.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.113 . . . . 0.0 109.519 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -40.55 96.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 189' ' ' TYR . 0.0 OUTLIER -140.39 119.97 8.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 194' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 0.97 8.27 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.414 1.744 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 195' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -96.95 29.52 3.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . -126.11 46.12 1.11 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 197' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -75.84 110.09 9.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 110.961 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 17.5 p -80.48 142.26 34.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 108.273 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -90.92 105.62 3.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' ILE . . . . . 0.417 HG23 ' OD1' ' A' ' 119' ' ' ASP . 37.5 mt -88.84 135.58 25.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 0.794 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 120.45 -54.0 0.67 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -58.43 -154.86 0.01 OUTLIER Glycine 0 CA--C 1.531 1.058 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 1.3 tt -58.81 -47.11 90.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.656 0.857 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 142.14 -136.36 7.22 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.466 1.104 . . . . 0.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 81.4 t -101.8 -25.48 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.756 . . . . 0.0 109.265 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 19.1 m -80.09 96.59 6.54 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 22.8 mt -96.46 150.39 37.02 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 208' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 123.64 8.01 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 209' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 177.4 8.63 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.517 1.798 . . . . 0.0 110.958 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.11 -51.84 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 110.317 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 211' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.082 . . . . 0.0 109.287 179.988 . . . . . . . . 0 0 . 1 stop_ save_