data_1wgv_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 1wgv _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' ' ' ASN . . . . . . . . . . . . . 42.1 t30 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 37.9 p90 -165.3 126.15 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.8 m -86.45 157.12 19.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.434 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.49 ' CE3' HD13 ' A' ' 108' ' ' ILE . 7.0 p-90 -162.75 163.99 26.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.167 . . . . 0.0 107.967 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.2 p -151.14 156.93 42.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.043 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -110.4 133.09 53.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -126.05 -178.99 4.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -38.47 -75.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.5 p -135.39 68.62 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.41 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 2.8 p-10 166.37 147.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.501 HD21 ' CE3' ' A' ' 105' ' ' TRP . 0.9 OUTLIER -120.32 155.95 32.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -137.57 116.23 12.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -119.13 127.99 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -115.97 126.21 53.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.418 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 39.7 t -111.59 129.97 23.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.5 Cg_endo -74.97 140.65 25.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.527 1.804 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.1 m -125.68 158.75 63.94 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.479 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.99 177.22 8.88 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.498 1.789 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.77 12.08 9.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.48 ' CD2' HG22 ' A' ' 41' ' ' VAL . 5.1 p-80 -114.29 -2.39 13.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.621 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.48 HG22 ' CD2' ' A' ' 40' ' ' HIS . 16.6 t -104.08 110.9 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 16.9 m -129.67 -41.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.53 148.51 29.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.14 -14.53 82.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -77.1 -13.58 59.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -82.65 -14.08 55.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.75 150.93 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.38 130.84 56.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.516 HG12 ' CG ' ' A' ' 85' ' ' TRP . 55.3 t -131.58 107.44 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.81 124.19 49.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.2 mt -123.81 125.68 45.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.492 ' O ' ' CG2' ' A' ' 80' ' ' THR . 41.1 m -127.34 -64.82 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.953 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 52' ' ' SER . 98.0 p 178.31 -54.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.9 33.01 5.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.86 147.04 23.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.535 ' CD1' ' CG2' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -140.71 151.24 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.137 . . . . 0.0 109.336 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.528 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -139.9 131.14 26.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.535 ' CG2' ' CD1' ' A' ' 56' ' ' ILE . 14.3 t -139.46 105.99 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -131.88 159.85 37.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.5 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -140.73 143.16 34.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.984 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.5 ' O ' ' CE ' ' A' ' 60' ' ' MET . 12.5 mt -77.82 130.8 37.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -93.54 -67.46 0.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -166.42 -65.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -94.88 -6.74 42.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.27 -134.62 1.68 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.477 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 2.0 pm0 -159.74 178.63 9.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 110.272 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.92 142.95 30.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.7 t -90.93 97.14 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.1 mt -61.34 -56.07 24.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 58' ' ' VAL . 18.1 ttt -139.81 131.2 26.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.449 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 10.2 tm-20 -163.05 153.99 16.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.449 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 147.38 158.02 7.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -68.03 130.14 42.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.425 ' CD2' HG23 ' A' ' 108' ' ' ILE . 35.7 mt -66.7 164.78 16.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.3 p -67.54 -46.26 73.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 110.368 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -134.94 -168.84 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.602 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -90.89 164.99 13.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.417 HD13 ' N ' ' A' ' 80' ' ' THR . 2.0 pp -142.05 -172.83 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -113.64 75.87 0.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 52' ' ' SER . 70.9 p -38.88 -40.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.44 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -55.72 -54.13 48.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.29 -27.92 62.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.04 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.0 m -71.02 156.31 39.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.94 179.56 7.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.516 ' CG ' HG12 ' A' ' 49' ' ' VAL . 1.6 p-90 -164.55 132.36 3.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 107.985 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.4 m -127.72 134.37 49.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.505 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 1.1 tm? -98.33 138.74 35.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -118.5 132.51 23.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.95 124.7 8.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.442 1.759 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.6 46.55 88.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -148.85 -100.27 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -163.76 173.36 12.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.289 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 46.5 t -100.43 140.62 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.421 HD13 ' N ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -114.53 130.15 56.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.421 ' N ' HD13 ' A' ' 94' ' ' LEU . 74.1 t -134.6 120.78 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -104.06 125.0 50.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.2 mt -108.12 127.41 53.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.94 114.06 27.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.571 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 27.5 mttt -62.91 146.28 53.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.3 m -97.68 41.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 139.02 -159.91 25.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -96.31 94.77 7.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -128.42 155.75 44.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 29.7 t-105 -103.28 103.1 13.09 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.129 . . . . 0.0 108.0 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.571 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 11.8 m95 -83.59 92.93 7.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 107.976 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -72.69 -12.83 61.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -164.27 175.65 9.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.49 HD13 ' CE3' ' A' ' 24' ' ' TRP . 8.2 mm -92.24 -55.59 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.2 mt -99.2 160.53 14.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.254 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 27.0 p90 -163.5 131.06 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.9 m -88.07 151.95 22.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.383 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.518 ' CG ' HG13 ' A' ' 108' ' ' ILE . 8.6 p-90 -159.4 162.59 35.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 107.982 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 p -147.45 158.61 44.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -108.88 119.93 41.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 28' ' ' TYR . 1.4 m-20 -110.53 -179.04 3.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -37.42 -65.23 0.32 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -147.25 74.86 1.35 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 110.415 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 166.47 144.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.469 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 2.7 mp -113.52 123.61 50.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.91 112.45 24.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -116.52 134.18 60.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.454 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 20.5 mtt85 -119.22 132.75 55.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.2 t -115.8 127.53 26.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.181 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 141.34 26.52 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.455 1.766 . . . . 0.0 110.96 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.4 m -125.16 158.84 62.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.06 177.45 8.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.95 14.59 7.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.567 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 7.0 p-80 -115.77 -3.85 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.601 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.476 HG22 ' CD2' ' A' ' 40' ' ' HIS . 33.6 t -103.91 111.35 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 13.9 m -128.69 -41.22 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -77.68 162.1 27.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.354 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.67 -15.81 62.91 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -79.11 -14.73 58.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -84.64 2.08 43.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.99 127.65 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.51 128.39 46.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.538 HG23 ' CZ3' ' A' ' 85' ' ' TRP . 37.9 t -130.78 122.83 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.19 106.62 15.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.9 mt -88.13 116.92 26.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 55' ' ' SER . 0.8 OUTLIER -127.11 143.19 51.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 78' ' ' ILE . 1.8 m -51.63 -26.05 8.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.9 p -148.86 53.62 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.427 ' O ' ' CB ' ' A' ' 52' ' ' SER . 0.0 OUTLIER 173.49 134.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.025 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.55 ' CD1' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -128.94 154.64 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.55 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 34.7 ttt180 -143.47 139.62 29.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.475 HG22 ' CD1' ' A' ' 56' ' ' ILE . 18.4 t -142.02 119.94 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -141.13 159.73 41.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.5 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -142.19 142.24 32.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.5 ' O ' ' CE ' ' A' ' 60' ' ' MET . 15.1 mt -75.84 133.45 40.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -102.87 -84.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -165.13 -45.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -116.9 20.34 13.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 146.18 127.54 1.87 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.476 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 1.4 pm0 -64.95 175.43 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 0.807 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -141.51 141.42 33.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.4 t -89.57 99.33 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.4 mt -61.83 -50.33 72.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.534 ' HE2' ' CE1' ' A' ' 22' ' ' TYR . 18.3 ttt -141.8 148.63 39.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.455 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 8.6 tm-20 -177.59 160.85 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.455 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 141.05 161.82 8.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.81 129.62 34.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 29.7 mt -65.07 152.36 43.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.6 p -77.1 -5.7 49.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 110.413 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.524 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 14.0 m-70 -152.85 176.73 11.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.608 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.47 ' O ' ' CG2' ' A' ' 78' ' ' ILE . 11.0 mttt -85.51 170.68 12.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.47 ' CG2' ' O ' ' A' ' 77' ' ' LYS . 1.8 pp -155.32 162.0 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' THR . 4.8 t-20 -95.17 74.39 3.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.451 HG22 ' CD1' ' A' ' 78' ' ' ILE . 74.6 p -37.6 -48.44 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -43.35 -54.74 4.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.254 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.8 m -71.04 -32.59 69.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.0 m -64.68 129.49 40.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.454 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.5 OUTLIER -116.21 178.83 4.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.538 ' CZ3' HG23 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -165.13 120.23 1.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 108.033 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.5 m -123.01 141.55 51.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.11 140.4 37.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -120.41 133.81 24.06 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.1 Cg_endo -75.05 123.97 8.25 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.39 45.62 82.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.22 -102.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.4 p -163.65 177.33 8.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 108.318 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.7 t -105.24 137.37 35.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.454 HD21 ' CZ ' ' A' ' 34' ' ' ARG . 1.6 tm? -113.64 129.14 56.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 81.7 t -136.6 139.8 44.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.454 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 1.7 m-80 -119.62 116.52 26.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.1 mt -97.03 112.35 24.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.0 t -70.48 139.82 51.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -82.81 131.58 35.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.7 t -112.61 93.73 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 77.43 148.72 3.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.13 93.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 0.0 110.321 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -129.33 153.05 48.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.514 ' O ' ' CD2' ' A' ' 76' ' ' HIS . 0.9 OUTLIER -81.14 124.16 29.02 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.524 ' CE2' ' HB2' ' A' ' 76' ' ' HIS . 7.2 m95 -102.01 -71.24 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 108.016 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 105' ' ' TRP . 2.2 t-20 80.2 -52.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -127.23 161.63 28.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.518 HG13 ' CG ' ' A' ' 24' ' ' TRP . 3.6 mm -76.72 -63.18 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.404 ' CD1' ' O ' ' A' ' 71' ' ' GLU . 28.3 mt -97.64 163.73 12.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.516 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 2.3 t30 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.545 ' CE1' ' HE3' ' A' ' 70' ' ' MET . 36.8 p90 -159.47 133.74 7.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -86.5 146.61 26.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.519 ' CE2' HG12 ' A' ' 108' ' ' ILE . 12.7 p-90 -157.84 165.36 35.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.035 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.2 p -151.62 155.63 38.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.96 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -108.8 131.81 54.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -118.49 178.61 4.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -39.24 -59.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 t -149.63 67.11 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.415 ' N ' ' HE3' ' A' ' 99' ' ' LYS . 1.3 p-10 172.41 153.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.576 HD23 ' CE3' ' A' ' 105' ' ' TRP . 1.7 mp -124.23 156.79 36.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -146.69 107.95 4.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.96 123.22 68.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -113.1 124.3 52.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.475 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 47.3 t -105.62 133.15 20.32 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.54 21.8 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.516 1.798 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.4 m -123.93 158.52 59.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.571 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.07 178.0 7.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.439 1.757 . . . . 0.0 110.968 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -85.71 12.2 9.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.571 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 6.3 p-80 -113.82 -3.6 13.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.61 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.426 HG22 ' CD2' ' A' ' 40' ' ' HIS . 16.0 t -102.51 109.34 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.428 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 15.2 m -127.8 -41.3 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -81.07 153.41 27.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.47 -12.15 80.83 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -79.98 -13.44 59.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -84.37 -13.08 53.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.47 141.32 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -103.18 136.08 43.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.427 HG12 ' CG ' ' A' ' 85' ' ' TRP . 55.5 t -139.65 113.68 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.47 114.4 27.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.0 mt -113.99 123.49 49.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.481 ' O ' ' CG2' ' A' ' 80' ' ' THR . 2.6 m -123.36 -65.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 52' ' ' SER . 99.6 p 178.39 -55.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.161 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.1 30.63 6.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.404 ' N ' HD13 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -151.72 147.98 27.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.461 HD11 ' CG2' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -140.9 150.55 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -143.78 125.57 15.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.461 ' CG2' HD11 ' A' ' 56' ' ' ILE . 99.3 t -133.76 121.96 41.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -150.1 140.26 22.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.0 ptm -116.91 138.32 51.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.7 mt -66.3 139.19 58.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -103.57 -174.25 2.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.06 -19.59 61.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -150.86 49.88 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 144.11 -135.15 6.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -160.9 170.49 20.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.272 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -144.45 141.54 29.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.8 t -91.55 99.11 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.2 mt -63.86 -51.67 63.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.545 ' HE3' ' CE1' ' A' ' 22' ' ' TYR . 19.8 ttt -138.38 142.21 39.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.455 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 10.9 tm-20 -171.97 154.71 3.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.455 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 142.65 155.41 6.43 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -71.14 133.52 46.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.404 HD13 ' N ' ' A' ' 55' ' ' SER . 8.7 mt -70.2 164.35 24.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.3 p -83.76 -19.9 34.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.428 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -143.66 179.45 7.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.596 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -95.86 172.48 7.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.9 pp -149.06 -171.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 82' ' ' SER . 11.8 t-20 -117.32 76.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 52' ' ' SER . 57.3 p -37.96 -46.35 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.388 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -53.67 -51.55 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 79' ' ' ASN . 0.7 OUTLIER -74.09 -27.33 60.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.9 m -75.36 163.77 27.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -155.09 179.25 9.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.453 ' CZ3' ' HB2' ' A' ' 87' ' ' LEU . 5.8 p-90 -163.81 124.37 2.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 107.993 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.0 p -115.76 136.78 52.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.453 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 1.2 tm? -99.52 139.69 34.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -119.47 133.28 23.8 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.2 Cg_endo -74.99 125.92 9.64 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.49 54.14 36.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.46 -97.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -162.14 177.49 9.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.316 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 35' ' ' VAL . 55.5 t -104.23 133.66 47.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -103.09 129.96 50.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 74.7 t -135.92 107.77 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -93.21 130.2 38.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.0 mt -113.94 129.86 56.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.23 109.17 20.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.006 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.42 ' HD3' ' CD1' ' A' ' 105' ' ' TRP . 78.4 mttt -57.49 152.61 14.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 33.5 m -102.68 44.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.02 -175.72 19.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -75.58 93.96 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -129.07 156.1 44.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.068 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 16.9 p90 -103.36 120.1 40.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 107.99 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.576 ' CE3' HD23 ' A' ' 31' ' ' LEU . 22.0 m95 -105.09 95.08 5.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 108.017 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -100.65 10.59 40.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -178.28 133.02 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.519 HG12 ' CE2' ' A' ' 24' ' ' TRP . 3.4 mm -70.61 -60.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.8 mt -97.73 166.3 11.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 39.2 p90 -158.35 127.95 5.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 p -86.7 155.02 20.54 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.523 ' CG ' HG13 ' A' ' 108' ' ' ILE . 16.6 p-90 -163.92 165.03 23.1 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.5 p -153.8 174.14 14.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -113.66 130.63 56.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.92 179.82 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -37.91 -52.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.4 t -158.51 68.69 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.386 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 172.82 158.61 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.498 HD22 ' CG ' ' A' ' 105' ' ' TRP . 2.7 mp -117.81 125.94 51.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.32 112.1 22.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -116.85 122.66 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.463 ' CG ' HD23 ' A' ' 94' ' ' LEU . 26.0 mtt180 -108.36 131.92 54.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.427 ' CG1' HD13 ' A' ' 69' ' ' LEU . 32.2 t -112.25 131.97 22.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.73 26.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.562 1.822 . . . . 0.0 110.964 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.8 m -128.34 158.41 71.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -74.99 179.53 6.0 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.496 1.788 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.99 12.99 9.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.444 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 3.9 p-80 -115.66 -3.41 12.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.593 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.419 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 3.6 t -98.97 108.87 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.421 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 16.4 m -131.15 -41.26 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -82.31 133.74 35.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.63 -34.88 44.35 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -60.23 -15.42 24.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 0.745 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 41' ' ' VAL . 17.4 mt-30 -78.32 -7.31 57.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.466 ' CG2' ' HG ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -140.19 131.28 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m -97.25 144.66 26.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.029 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.579 ' CG2' ' CE3' ' A' ' 85' ' ' TRP . 3.2 t -138.59 115.21 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.84 109.08 18.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.1 mt -109.01 128.45 54.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.457 ' O ' ' CG2' ' A' ' 80' ' ' THR . 4.1 m -124.8 -66.36 0.97 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.6 t 173.91 -47.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 74' ' ' LEU . 83.3 p -122.77 31.91 5.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.2 t -158.89 172.65 17.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.99 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.465 ' CD1' HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -165.75 155.18 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.463 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 11.0 ttt180 -143.96 134.38 24.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.465 HG23 ' CD1' ' A' ' 56' ' ' ILE . 88.2 t -138.23 97.51 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -122.68 130.94 53.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.453 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 1.6 ptm -108.08 135.97 48.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.453 ' O ' ' CE ' ' A' ' 60' ' ' MET . 7.6 mt -65.77 138.29 57.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -101.86 -174.2 2.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.19 -18.76 60.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -151.35 48.88 0.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 145.38 -137.24 6.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.22 166.33 27.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.783 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.06 140.14 34.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.3 t -88.18 99.63 9.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 58' ' ' VAL . 34.6 mt -62.59 -60.15 3.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.477 ' HE1' ' CE1' ' A' ' 22' ' ' TYR . 27.5 ttt -131.94 147.81 52.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -177.83 156.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 140.36 157.79 7.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -74.96 127.28 32.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 54' ' ' SER . 5.2 mt -66.94 173.85 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.3 p -83.89 -35.4 24.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.401 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.541 ' CD2' ' HB3' ' A' ' 103' ' ' TYR . 14.6 m-70 -130.54 171.86 12.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.606 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -80.83 173.14 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.407 ' CG2' ' CZ2' ' A' ' 105' ' ' TRP . 2.2 pp -151.85 166.64 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -95.24 80.24 3.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 52' ' ' SER . 29.6 p -42.47 -35.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.23 -51.15 71.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 37.0 m -75.74 -17.85 59.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 m -82.7 143.16 31.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.454 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.8 OUTLIER -138.19 179.26 6.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.579 ' CE3' ' CG2' ' A' ' 49' ' ' VAL . 4.0 p-90 -158.93 120.97 3.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 107.972 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.9 m -119.26 128.47 54.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.037 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.466 ' HG ' ' CG2' ' A' ' 47' ' ' VAL . 0.9 OUTLIER -93.77 144.37 25.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -123.58 135.57 26.28 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.03 121.43 6.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 58.05 55.51 30.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.097 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -157.74 -100.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -164.38 177.64 8.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 108.313 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.9 t -104.55 136.03 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.463 HD23 ' CG ' ' A' ' 34' ' ' ARG . 2.2 tm? -111.08 132.44 54.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 53.4 t -136.98 141.24 41.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.454 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 3.0 m-80 -118.46 113.84 21.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.5 mt -98.06 118.02 33.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.7 142.78 33.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 110.038 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -82.02 137.06 35.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.1 t -119.48 95.1 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.22 -179.99 50.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -85.08 94.47 8.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.541 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 51.6 m-85 -128.86 155.78 44.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 20.0 p90 -103.72 103.39 13.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.498 ' CG ' HD22 ' A' ' 31' ' ' LEU . 34.9 m95 -80.65 86.43 5.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 108.01 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -91.11 5.33 49.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 177.46 133.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.523 HG13 ' CG ' ' A' ' 24' ' ' TRP . 5.5 mm -56.97 -51.96 61.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 68.4 mt -105.82 166.95 10.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 31.0 p90 -149.44 129.84 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 m -87.22 149.81 24.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CE3' HD12 ' A' ' 108' ' ' ILE . 21.8 p-90 -155.39 168.62 26.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 108.009 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.8 m -153.44 166.72 31.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.042 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -119.35 122.05 40.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -108.09 178.15 4.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -39.84 -55.78 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.4 71.91 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 169.46 159.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.515 HD21 ' CG ' ' A' ' 105' ' ' TRP . 2.7 mp -123.93 143.19 50.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -132.54 109.12 9.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -122.05 126.69 74.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -118.09 130.02 55.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.455 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 41.1 t -106.0 131.63 21.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.38 22.99 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.1 m -122.99 158.75 56.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.264 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.555 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.05 176.93 9.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -84.26 9.45 12.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.555 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 4.4 p-80 -109.57 -3.84 16.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.6 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.0 t -102.01 110.54 29.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.425 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 16.3 m -134.28 -41.17 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -78.68 147.52 33.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.1 0.6 58.47 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.21 -11.04 36.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -94.96 24.94 4.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -155.83 140.37 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.11 130.36 55.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.41 HG22 ' CE3' ' A' ' 85' ' ' TRP . 42.8 t -129.8 138.54 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.26 109.39 10.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.0 mt -107.76 123.6 48.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.468 ' O ' ' CG2' ' A' ' 80' ' ' THR . 3.2 m -124.2 -67.2 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 52' ' ' SER . 79.9 p 176.76 -52.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 74' ' ' LEU . 47.2 p -120.38 27.58 8.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.996 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.82 153.97 40.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.039 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.463 ' CD1' HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -147.54 146.56 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -142.97 130.51 21.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.463 HG23 ' CD1' ' A' ' 56' ' ' ILE . 58.1 t -136.53 113.4 13.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -135.27 162.9 31.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.407 ' HG2' ' CG ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -142.13 135.0 28.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.589 1.181 . . . . 0.0 110.977 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 12.5 mt -69.97 130.76 43.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -97.26 -67.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -166.58 -68.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -89.81 -5.44 56.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -166.06 -134.78 1.73 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.446 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -157.16 177.41 11.52 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 0.737 . . . . 0.0 110.285 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -140.86 137.69 33.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.1 t -90.02 99.17 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.363 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.407 ' CG ' ' HG2' ' A' ' 60' ' ' MET . 29.4 mt -62.66 -55.74 24.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.498 ' HE2' ' CE1' ' A' ' 22' ' ' TYR . 21.0 ttt -134.66 143.46 47.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 10.8 tm-20 -171.51 154.99 3.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.452 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 145.08 151.73 5.48 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -68.85 132.0 46.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.252 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 54' ' ' SER . 13.9 mt -67.73 160.91 27.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.9 p -76.21 -26.35 56.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -141.89 -174.14 4.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.629 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -94.96 163.7 13.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.0 pp -138.61 -175.12 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -110.07 85.74 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 52' ' ' SER . 9.7 p -51.27 -21.1 1.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.384 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -73.54 -51.05 18.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.65 -23.75 45.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.2 m -76.43 143.3 40.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.943 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.446 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.6 OUTLIER -132.3 179.35 6.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.41 ' CE3' HG22 ' A' ' 49' ' ' VAL . 1.1 p-90 -159.8 121.53 3.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 0.0 107.97 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 m -124.2 159.12 30.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -119.73 141.78 49.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.67 135.52 26.26 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.99 123.77 8.14 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.47 1.774 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.37 59.41 9.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.433 1.083 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -159.54 -99.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -164.52 177.67 7.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 108.301 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 44.4 t -104.85 130.87 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.464 ' CD1' ' ND2' ' A' ' 96' ' ' ASN . 2.0 tm? -98.61 138.12 36.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 89.3 t -147.85 128.16 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.464 ' ND2' ' CD1' ' A' ' 94' ' ' LEU . 2.5 m-80 -110.92 130.2 55.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.2 mt -116.82 115.17 25.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.89 140.11 31.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.457 ' CE ' HD13 ' A' ' 31' ' ' LEU . 44.9 mttt -87.89 131.7 34.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.7 m -92.07 40.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 144.12 -179.24 21.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -86.4 94.27 9.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 110.317 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -128.87 155.9 44.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.978 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.425 ' CG ' ' O ' ' A' ' 104' ' ' TRP . 20.8 p90 -103.54 93.06 4.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 107.993 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.515 ' CG ' HD21 ' A' ' 31' ' ' LEU . 18.7 m95 -66.71 86.07 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -61.97 -15.63 45.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -171.28 163.72 7.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.565 HD12 ' CE3' ' A' ' 24' ' ' TRP . 4.6 mm -78.17 -60.04 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.457 HD23 ' CG2' ' A' ' 56' ' ' ILE . 43.0 mt -101.13 171.06 7.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 69' ' ' LEU . 10.5 t30 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 29.2 p90 -147.31 131.31 17.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.6 m -86.47 159.02 19.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.383 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.542 ' CE3' HD11 ' A' ' 108' ' ' ILE . 3.2 p-90 -162.03 160.84 28.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 107.95 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.448 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 5.4 p -153.93 158.67 41.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -110.63 131.94 54.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -115.85 -179.35 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -39.59 -52.26 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.4 t -154.93 68.9 0.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 167.86 171.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.522 HD21 ' CG ' ' A' ' 105' ' ' TRP . 0.3 OUTLIER -131.44 158.03 41.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -139.01 101.45 4.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.18 116.64 52.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.5 mtm-85 -109.58 124.5 51.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 73.7 t -106.1 131.13 21.99 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.93 135.58 19.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.771 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.5 m -120.21 159.13 48.73 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.56 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.98 176.09 10.37 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -84.31 8.45 16.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.581 ' CD2' HG21 ' A' ' 41' ' ' VAL . 3.3 p-80 -106.6 -4.41 19.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.583 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.581 HG21 ' CD2' ' A' ' 40' ' ' HIS . 37.7 t -104.28 110.84 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.8 m -136.77 15.66 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -139.67 158.94 43.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.15 -22.96 46.55 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 ptmm? -72.11 -16.54 62.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 0.793 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 61' ' ' LEU . 5.8 mt-30 -81.51 -16.43 51.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.44 152.08 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.21 124.89 53.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.517 HG22 ' CE3' ' A' ' 85' ' ' TRP . 70.0 t -121.17 106.62 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.27 114.48 28.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.2 mt -118.27 140.37 49.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.488 ' O ' ' CG2' ' A' ' 80' ' ' THR . 27.9 m -132.4 -65.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.011 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 76.8 p 176.69 -51.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.039 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.0 p -117.1 33.12 5.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.0 t -162.94 174.84 11.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.467 ' CD1' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -165.1 154.42 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.423 ' N ' HD12 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -135.95 133.45 37.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.467 HG22 ' CD1' ' A' ' 56' ' ' ILE . 63.4 t -138.24 108.54 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -135.15 156.62 48.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.467 ' HE1' ' CE1' ' A' ' 40' ' ' HIS . 0.9 OUTLIER -137.14 141.38 42.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.509 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 7.4 mt -65.55 130.0 41.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.28 -172.87 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.54 -0.06 56.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 64' ' ' ASN . 11.5 p-10 -158.15 57.01 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.7 121.22 2.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.509 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 2.3 pm0 -44.0 165.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -132.99 136.17 45.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.408 HG22 ' NH1' ' A' ' 57' ' ' ARG . 71.5 t -82.53 99.94 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.453 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 30.5 mt -65.14 -50.73 64.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.407 ' O ' ' N ' ' A' ' 58' ' ' VAL . 19.0 ttt -139.91 139.66 36.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.451 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 12.3 tm-20 -172.44 148.92 2.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 0.0 110.33 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.451 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 147.54 155.39 6.57 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.03 136.09 56.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 0.794 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.9 mt -76.66 175.83 8.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.5 p -81.32 -40.95 22.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -130.34 -178.38 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.616 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -89.36 168.15 12.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.422 HD13 ' N ' ' A' ' 80' ' ' THR . 2.0 pp -145.75 -178.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -111.18 77.03 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 52' ' ' SER . 68.2 p -38.03 -47.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -54.25 -51.78 63.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -22.77 61.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.08 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.7 m -78.3 164.51 24.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.94 179.45 7.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.517 ' CE3' HG22 ' A' ' 49' ' ' VAL . 3.0 p-90 -163.51 121.65 1.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 108.024 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -114.68 152.83 31.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.401 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -117.34 146.36 43.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.352 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -127.46 135.78 27.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 120.62 6.16 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 57.03 46.77 91.11 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.528 1.143 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -145.31 -99.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -163.54 176.85 9.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 108.331 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 35' ' ' VAL . 98.6 t -106.53 134.43 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.409 ' C ' ' CD1' ' A' ' 94' ' ' LEU . 1.0 OUTLIER -104.07 128.5 51.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 61.0 t -130.67 105.39 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -89.82 122.71 33.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.1 mt -107.36 125.74 51.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -103.0 105.54 15.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -60.06 143.53 51.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.4 m -90.06 45.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 136.64 172.4 12.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 111.047 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -69.67 94.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -129.08 156.0 44.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.41 ' O ' ' CG ' ' A' ' 104' ' ' TRP . 12.9 p90 -109.48 108.07 18.42 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.522 ' CG ' HD21 ' A' ' 31' ' ' LEU . 9.1 m95 -84.8 90.6 7.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 108.01 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -61.83 -14.73 36.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -169.43 163.46 10.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.542 HD11 ' CE3' ' A' ' 24' ' ' TRP . 10.8 mm -80.25 -60.46 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.0 mt -101.08 168.17 9.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.1 t30 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 42.4 p90 -161.86 127.46 3.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 p -86.49 151.78 23.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CE3' HD11 ' A' ' 108' ' ' ILE . 10.9 p-90 -158.36 168.94 25.62 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.4 m -153.78 153.15 31.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.031 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.401 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 36.0 tt0 -108.3 129.33 55.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -132.74 178.63 6.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.422 ' O ' ' CG2' ' A' ' 29' ' ' THR . 1.0 OUTLIER -95.12 44.82 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.422 ' CG2' ' O ' ' A' ' 28' ' ' TYR . 37.7 p -154.19 -56.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.367 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -164.22 171.03 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mp -96.17 130.96 43.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.54 117.72 31.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -128.02 132.88 68.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -125.95 134.06 51.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.432 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 38.7 t -111.98 135.45 21.26 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 140.46 25.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.1 m -126.92 158.66 67.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.415 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.94 177.28 8.77 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.468 1.772 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt -86.26 13.0 8.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.449 ' O ' ' NE2' ' A' ' 46' ' ' GLN . 3.5 p-80 -114.42 -3.0 13.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.626 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.433 HG21 ' CD2' ' A' ' 40' ' ' HIS . 21.1 t -103.26 112.38 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.427 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 18.9 m -131.37 -41.63 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.18 154.1 33.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.74 -16.8 76.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.65 -15.38 59.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 40' ' ' HIS . 7.0 mt-30 -79.43 -3.34 46.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.93 148.03 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.5 m -111.51 140.86 45.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.557 HG13 ' CD1' ' A' ' 85' ' ' TRP . 74.6 t -137.7 127.54 36.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -132.22 123.66 27.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.7 mt -123.18 134.79 54.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.468 ' O ' ' CG2' ' A' ' 80' ' ' THR . 16.0 m -126.59 -64.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.6 p 176.54 -53.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.17 33.93 5.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.5 t -163.52 174.14 12.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.55 ' CD1' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -165.08 157.15 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.55 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 2.2 ttt180 -138.43 127.56 24.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.51 ' CG2' ' CD1' ' A' ' 56' ' ' ILE . 47.2 t -134.66 133.78 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -158.85 158.59 33.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.497 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -139.82 142.13 36.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.497 ' O ' ' CE ' ' A' ' 60' ' ' MET . 12.3 mt -74.7 128.62 36.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -93.07 -75.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.097 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.9 -68.12 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -89.11 -7.27 56.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -164.26 -134.75 1.7 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.468 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -154.94 -179.92 8.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.322 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -146.21 142.64 28.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.4 t -92.43 97.73 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.408 ' CB ' HG11 ' A' ' 35' ' ' VAL . 51.1 mt -60.36 -52.6 64.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 20.4 ttt -138.21 145.26 41.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.453 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 10.4 tm-20 -177.98 154.43 0.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.453 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 139.39 160.81 8.49 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -71.5 136.19 47.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.0 mt -74.17 176.65 6.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.2 p -85.8 -30.87 22.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.483 ' NE2' ' CD1' ' A' ' 103' ' ' TYR . 1.6 m80 -139.54 -170.47 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.592 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -93.59 172.94 7.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.441 ' C ' ' CG2' ' A' ' 100' ' ' VAL . 2.3 pp -151.55 179.83 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 83' ' ' SER . 6.7 t-20 -108.54 81.11 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 52' ' ' SER . 69.5 p -46.06 -43.33 14.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -55.74 -51.7 66.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.33 -22.37 59.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 79' ' ' ASN . 17.1 m -73.56 162.03 29.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.98 179.34 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.557 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.5 p-90 -164.59 129.37 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 107.968 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.5 m -125.15 139.37 53.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.407 HD21 ' N ' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -103.07 140.07 37.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.407 ' N ' HD21 ' A' ' 87' ' ' LEU . 1.5 mt-10 -119.66 133.89 23.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.0 122.0 6.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 58.99 49.49 77.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.056 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.03 -97.71 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -163.35 176.86 9.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 108.326 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 50.0 t -103.6 131.51 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -99.76 129.02 45.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 78.1 t -136.33 113.23 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -99.99 120.91 40.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.2 mt -109.24 125.03 51.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.2 t -81.15 157.94 25.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -98.08 130.54 44.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.246 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.441 ' CG2' ' C ' ' A' ' 78' ' ' ILE . 3.3 t -110.48 99.82 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 69.98 154.22 1.04 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.7 93.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.483 ' CD1' ' NE2' ' A' ' 76' ' ' HIS . 18.5 m-85 -129.78 155.9 45.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.546 ' CD1' ' ND2' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -79.24 154.39 29.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 108.031 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.498 ' O ' ' CZ2' ' A' ' 104' ' ' TRP . 9.2 m95 -135.32 -73.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 108.037 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.546 ' ND2' ' CD1' ' A' ' 104' ' ' TRP . 2.0 m-80 50.55 22.75 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 106' ' ' ASN . . . 165.18 142.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.567 HD11 ' CE3' ' A' ' 24' ' ' TRP . 2.8 mm -77.17 -59.26 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.5 mt -96.45 164.22 12.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.599 ' CD2' ' SD ' ' A' ' 70' ' ' MET . 41.0 p90 -124.8 132.28 53.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 m -87.24 149.78 24.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.56 ' CE3' HD11 ' A' ' 108' ' ' ILE . 23.7 p-90 -155.64 169.41 24.39 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 p -153.63 150.23 28.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.952 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -108.65 120.98 44.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -131.91 169.97 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.4 ' C ' ' CG2' ' A' ' 29' ' ' THR . 32.4 m-85 -87.67 45.92 1.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.4 ' CG2' ' C ' ' A' ' 28' ' ' TYR . 58.2 p -151.77 -50.21 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.374 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.3 p30 -172.69 177.39 2.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.507 HD23 ' CD2' ' A' ' 105' ' ' TRP . 3.2 mp -105.28 123.84 48.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -110.38 111.13 22.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.87 124.66 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.427 ' HB2' ' NH1' ' A' ' 34' ' ' ARG . 8.4 mtm105 -118.19 134.25 55.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.428 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 57.5 t -111.11 133.49 21.3 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.01 139.96 24.85 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.55 1.816 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.7 m -125.05 158.55 62.83 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.537 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -74.98 177.65 8.3 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.527 1.804 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -86.14 12.09 10.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.537 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 6.9 p-80 -113.5 -3.0 13.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.621 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.5 t -104.21 112.44 37.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.414 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 18.6 m -132.22 -41.8 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -77.81 148.38 34.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.5 -11.29 85.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.82 -13.2 57.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.763 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -86.06 3.96 40.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.62 143.8 31.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.63 129.4 56.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.567 HG23 ' CE3' ' A' ' 85' ' ' TRP . 91.0 t -132.27 119.1 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -115.73 123.72 49.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 66.6 mt -125.81 132.78 52.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.411 ' O ' ' CG2' ' A' ' 80' ' ' THR . 58.4 m -133.67 -57.89 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.032 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 52' ' ' SER . 26.0 t 173.76 -51.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.934 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.1 p -123.17 39.11 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.99 146.06 12.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.525 ' CD1' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -144.66 151.37 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.525 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 3.5 ttt180 -142.08 136.24 29.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.48 HG21 ' CD1' ' A' ' 56' ' ' ILE . 15.0 t -140.65 100.57 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -125.16 158.34 34.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.404 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -138.06 143.75 40.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 12.9 mt -77.67 129.71 35.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -93.63 -71.86 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.21 -67.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.279 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -90.49 -7.7 52.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -162.98 -134.88 1.72 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -156.57 -177.45 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 0.799 . . . . 0.0 110.269 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -149.52 139.38 21.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.403 ' CG1' ' HB2' ' A' ' 71' ' ' GLU . 74.1 t -89.29 97.16 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.8 mt -59.5 -59.23 5.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.599 ' SD ' ' CD2' ' A' ' 22' ' ' TYR . 18.5 ttt -133.08 131.79 40.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 9.2 tm-20 -161.33 153.06 19.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 149.22 150.34 5.2 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 110.95 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.87 126.05 28.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.744 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.99 158.11 14.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.4 p -72.19 -37.0 69.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -133.49 -174.68 3.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.596 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -90.41 171.86 9.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.425 ' CD1' HG22 ' A' ' 80' ' ' THR . 1.8 pp -146.67 -171.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -114.35 74.83 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.425 HG22 ' CD1' ' A' ' 78' ' ' ILE . 82.8 p -40.64 -38.64 0.92 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.435 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -58.51 -50.85 72.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.5 m -77.24 -22.75 51.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.9 m -74.81 159.04 32.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.4 179.45 8.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.567 ' CE3' HG23 ' A' ' 49' ' ' VAL . 3.7 p-90 -164.4 127.22 2.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 107.996 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.1 p -125.45 139.42 53.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -101.25 139.9 36.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -119.23 133.4 23.74 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.03 124.75 8.84 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.02 45.88 85.92 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.08 -101.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -160.93 177.0 10.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 108.324 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 61.3 t -101.25 134.72 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -102.36 132.58 48.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 93.4 t -139.08 124.99 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -112.56 127.12 55.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.2 mt -115.63 118.65 33.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.12 111.49 23.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.559 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 21.8 mttt -58.06 142.42 46.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 18.5 m -88.75 44.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 128.23 175.23 14.0 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.4 94.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -128.51 155.87 44.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 16.6 t-105 -104.61 118.35 36.37 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.559 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 13.8 m95 -98.97 125.29 44.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 108.042 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -109.33 -1.59 18.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.447 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . . . -175.56 161.66 2.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.56 HD11 ' CE3' ' A' ' 24' ' ' TRP . 8.6 mm -85.96 -45.51 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.6 mt -113.28 162.1 16.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 25.9 p90 -165.22 131.96 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 m -86.92 148.99 25.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 110.45 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.517 ' CG ' HG13 ' A' ' 108' ' ' ILE . 16.1 p-90 -159.78 162.34 34.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 107.963 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 82.0 p -152.58 175.97 12.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -136.72 111.99 9.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -131.2 141.49 50.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 57.44 -83.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.7 t -167.08 53.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.42 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -154.0 164.86 37.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.56 HD21 ' CE3' ' A' ' 105' ' ' TRP . 1.8 mp -123.94 110.87 15.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.57 109.22 21.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.37 132.42 67.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.448 ' CG ' HD22 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -120.82 133.06 55.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.422 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 44.1 t -111.35 129.24 24.27 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 137.88 22.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.1 m -123.66 158.59 58.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.563 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -74.94 176.84 9.36 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.782 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -86.27 13.38 8.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.563 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 6.3 p-80 -113.73 -3.9 13.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.576 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.402 HG21 ' CD2' ' A' ' 40' ' ' HIS . 38.1 t -103.8 110.59 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.433 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 15.7 m -128.62 -40.7 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -79.23 156.13 28.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.8 -26.01 57.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -10.77 60.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -86.21 -2.29 58.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.53 134.01 38.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.6 124.23 41.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.574 HG21 ' CH2' ' A' ' 85' ' ' TRP . 77.1 t -127.32 116.21 43.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -114.86 108.22 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.6 mt -93.71 126.62 38.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.76 148.52 47.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 78' ' ' ILE . 1.6 m -51.22 -29.37 14.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.4 ' C ' ' OG ' ' A' ' 55' ' ' SER . 3.1 p -149.73 61.19 1.0 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.057 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.4 ' OG ' ' C ' ' A' ' 54' ' ' SER . 0.0 OUTLIER 168.63 138.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.536 ' CD1' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -135.84 148.91 27.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.536 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 0.9 OUTLIER -136.74 129.37 30.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 70' ' ' MET . 88.1 t -132.68 133.16 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -159.36 149.85 19.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.475 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -128.14 132.32 48.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.475 ' O ' ' CE ' ' A' ' 60' ' ' MET . 7.9 mt -62.52 138.09 58.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -107.16 -174.64 2.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -68.34 -33.92 75.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -135.94 57.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.75 -135.03 7.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.01 178.94 9.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.65 143.41 25.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.3 t -94.41 98.49 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.173 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.1 mt -62.88 -53.55 52.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.562 ' HE3' ' CE1' ' A' ' 22' ' ' TYR . 24.7 ttt -137.93 154.33 49.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.419 ' CG ' ' N ' ' A' ' 72' ' ' GLY . 45.3 tt0 170.68 154.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.419 ' N ' ' CG ' ' A' ' 71' ' ' GLU . . . 147.54 159.52 8.42 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.16 121.01 22.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.9 mt -57.94 164.45 2.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.4 p -73.27 -47.19 45.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -127.87 174.72 8.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.608 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -70.37 169.01 14.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.441 ' CD1' HG23 ' A' ' 80' ' ' THR . 2.0 pp -145.88 -166.84 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -120.35 89.27 3.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.441 HG23 ' CD1' ' A' ' 78' ' ' ILE . 38.7 p -62.32 -24.36 67.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -70.48 -52.52 21.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.8 m -74.81 -30.69 61.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.7 m -64.22 160.9 17.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.13 . . . . 0.0 109.966 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 1.1 pp -151.95 179.35 8.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.574 ' CH2' HG21 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -164.57 123.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.2 m -124.43 129.06 49.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 110.006 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 1.0 OUTLIER -90.0 140.65 29.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -121.08 134.16 24.33 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.98 122.87 7.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.32 55.14 31.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.23 -100.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.2 p -164.51 177.43 8.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 108.241 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 35' ' ' VAL . 72.5 t -103.86 129.89 55.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.448 HD22 ' CG ' ' A' ' 34' ' ' ARG . 1.6 tm? -103.53 129.98 50.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.422 ' N ' HD12 ' A' ' 94' ' ' LEU . 76.7 t -135.98 144.92 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.472 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 3.4 m-80 -125.53 129.59 50.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 22.4 mt -121.32 122.93 40.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.52 99.06 10.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.563 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 8.8 ptpt -62.54 93.58 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 18.1 m -44.73 145.2 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 56.9 -151.61 25.48 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.75 93.75 4.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' A' ' 103' ' ' TYR . 8.4 m-85 -129.27 144.15 51.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.603 ' O ' ' CE3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -73.93 128.88 36.68 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.563 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 17.0 m95 -112.25 87.73 2.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 107.993 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -95.16 23.76 5.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 171.49 138.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.517 HG13 ' CG ' ' A' ' 24' ' ' TRP . 5.2 mm -72.18 -54.15 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.9 mt -102.39 163.66 12.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 110.324 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 69' ' ' LEU . 44.3 t30 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 30.2 p90 -154.45 130.48 10.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -87.09 154.77 20.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.42 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.487 ' CG ' HG13 ' A' ' 108' ' ' ILE . 16.3 p-90 -161.18 163.84 30.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 108.025 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.8 p -152.76 177.14 11.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -142.56 119.77 11.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -133.63 132.67 41.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.242 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 65.16 -70.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.7 OUTLIER -179.19 59.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.436 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -151.99 170.23 20.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mp -133.17 101.11 5.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.79 109.59 21.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.91 125.39 70.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -111.08 129.74 55.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.431 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 10.2 t -110.92 133.03 21.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -74.98 139.61 24.53 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.466 1.772 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.2 m -123.69 159.11 57.15 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.594 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.1 Cg_endo -75.07 176.54 9.79 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.481 1.779 . . . . 0.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -84.95 9.61 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.594 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 4.8 p-80 -108.98 -3.78 17.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.551 HG21 ' CD2' ' A' ' 40' ' ' HIS . 25.8 t -103.23 111.4 32.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.4 m -137.29 13.7 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -137.63 159.78 41.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -80.12 -34.27 30.36 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.561 1.163 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.5 -17.04 63.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.759 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -80.49 -11.85 59.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.95 131.33 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.43 120.54 33.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.572 HG23 ' CZ3' ' A' ' 85' ' ' TRP . 39.4 t -125.11 114.83 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -114.22 109.17 17.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.2 mt -92.07 121.12 33.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.16 148.5 50.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.993 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -51.34 -28.69 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.992 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.3 p -150.21 58.35 0.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 170.59 138.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.527 ' CD1' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -135.63 148.98 28.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.527 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 27.6 ttt180 -134.26 133.4 40.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.322 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.472 ' CG2' ' CD1' ' A' ' 56' ' ' ILE . 22.2 t -134.68 122.56 39.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -148.46 158.6 44.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.255 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.506 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -137.17 145.02 43.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.506 ' O ' ' CE ' ' A' ' 60' ' ' MET . 16.6 mt -78.04 128.77 34.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -93.09 -72.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -162.66 -67.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -87.7 -6.73 58.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -166.49 -133.94 1.61 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.469 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -156.04 175.13 14.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.737 . . . . 0.0 110.304 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -141.39 136.87 31.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.421 ' CG1' ' HB2' ' A' ' 71' ' ' GLU . 69.7 t -88.06 99.18 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.447 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 38.3 mt -61.51 -59.92 4.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.502 ' HE1' ' CE1' ' A' ' 22' ' ' TYR . 13.4 ttt -127.57 145.97 50.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.458 ' CG ' ' HA ' ' A' ' 57' ' ' ARG . 1.4 tt0 -173.09 155.01 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 145.64 150.4 5.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -72.59 119.06 16.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 0.777 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.1 mt -48.59 170.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.4 p -86.89 -40.08 15.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.498 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 4.9 m-70 -125.86 174.33 8.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -80.08 156.66 26.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.47 ' CD1' HG22 ' A' ' 80' ' ' THR . 1.9 pp -134.54 -172.74 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -119.17 88.42 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.47 HG22 ' CD1' ' A' ' 78' ' ' ILE . 68.0 p -58.12 -16.61 13.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.404 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -76.47 -44.72 34.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.81 -18.45 27.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.049 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.3 m -74.37 160.09 31.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.985 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.3 OUTLIER -155.21 179.52 9.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.572 ' CZ3' HG23 ' A' ' 49' ' ' VAL . 2.6 p-90 -162.26 137.06 6.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.01 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.1 m -127.4 153.7 45.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.992 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.46 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 0.6 OUTLIER -116.28 146.48 42.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -127.23 135.48 27.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 119.18 5.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 58.27 49.33 77.01 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -149.13 -99.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.2 p -163.75 173.64 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.313 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 75.7 t -99.78 143.46 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -111.12 132.19 54.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 74.4 t -134.78 128.41 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -113.2 126.96 56.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 21.4 mt -120.58 119.31 32.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.94 117.82 33.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.513 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 24.3 mttt -61.65 141.84 57.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 24.6 m -94.51 45.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.02 -141.92 13.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -125.11 94.62 4.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -127.72 155.65 43.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -81.71 115.57 21.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 107.979 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.513 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 10.7 m95 -99.27 -70.25 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 107.969 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 105' ' ' TRP . 0.6 OUTLIER 79.56 -54.59 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -124.62 160.23 28.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.487 HG13 ' CG ' ' A' ' 24' ' ' TRP . 6.2 mm -77.05 -54.21 13.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 30.1 mt -107.3 169.78 8.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.326 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 31.0 p90 -153.64 133.06 12.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.103 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.8 m -86.41 154.75 20.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.516 ' CG ' HG13 ' A' ' 108' ' ' ILE . 5.2 p-90 -159.26 161.9 36.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.0 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.0 m -150.84 158.25 43.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.967 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -112.24 126.69 55.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.365 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -113.81 176.32 5.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -37.3 -59.27 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -148.15 66.8 1.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.43 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.414 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 0.7 OUTLIER 172.47 167.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.522 HD21 ' CG ' ' A' ' 105' ' ' TRP . 0.7 OUTLIER -133.42 158.55 42.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -144.15 106.34 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.41 122.54 68.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.31 132.21 54.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 93' ' ' VAL . 3.4 t -113.27 127.51 26.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 136.59 20.59 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.9 m -120.41 158.51 50.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.546 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.1 Cg_endo -75.06 177.39 8.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 110.963 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.71 12.61 8.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.546 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 8.2 p-80 -114.7 -2.86 12.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.473 1.108 . . . . 0.0 109.61 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.4 t -103.89 111.06 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 15.5 m -130.78 -41.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.64 152.09 28.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.61 -7.74 87.78 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.448 1.093 . . . . 0.0 111.045 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -83.04 -13.45 55.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 0.769 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 61' ' ' LEU . 3.2 mt-30 -83.49 -21.9 32.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.79 149.57 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.08 134.13 55.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.455 HG23 ' CE3' ' A' ' 85' ' ' TRP . 55.6 t -133.16 130.83 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -126.94 123.42 37.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.8 mt -122.88 121.83 37.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.499 ' O ' ' CG2' ' A' ' 80' ' ' THR . 1.9 m -123.64 -65.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 52' ' ' SER . 93.1 p 177.64 -50.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.97 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.05 33.74 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.966 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.4 151.62 30.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.493 ' CD1' HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -150.6 148.09 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.417 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 2.7 ttt180 -143.81 133.72 24.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.493 HG23 ' CD1' ' A' ' 56' ' ' ILE . 43.1 t -137.08 107.38 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.47 159.36 35.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.464 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -139.93 144.96 37.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.464 ' O ' ' CE ' ' A' ' 60' ' ' MET . 8.2 mt -74.58 129.2 37.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -96.51 -62.53 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -168.38 -78.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.56 -11.77 59.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -157.05 -133.4 1.6 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.462 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 1.3 pm0 -156.94 175.91 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -138.45 147.15 42.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 79.8 t -97.88 97.18 5.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.8 mt -59.79 -59.24 5.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.513 ' SD ' ' CG ' ' A' ' 22' ' ' TYR . 24.5 ttt -131.41 144.66 51.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 111.051 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.448 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 12.6 tm-20 -172.51 151.95 2.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.448 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 151.09 153.34 6.13 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.115 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -74.68 114.48 13.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.4 mt -47.11 170.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.1 p -85.26 -38.77 18.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -131.2 173.86 10.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.618 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -82.08 161.89 22.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.9 pp -138.03 -171.24 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 80' ' ' THR . 16.5 t-20 -116.96 78.08 1.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 52' ' ' SER . 49.0 p -37.35 -43.48 0.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -53.65 -54.39 38.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.9 -31.19 67.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.9 m -71.94 136.45 46.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.3 OUTLIER -122.58 178.96 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.475 ' CZ3' ' HB2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -164.87 122.44 1.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 108.044 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.7 m -129.71 130.82 45.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.475 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 0.7 OUTLIER -90.65 141.52 28.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.441 ' N ' ' CD2' ' A' ' 87' ' ' LEU . 4.8 mt-10 -119.48 133.63 23.8 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.0 126.79 10.2 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.445 1.761 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 52.81 42.56 59.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -142.14 -104.59 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.4 p -164.08 177.03 8.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 108.278 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 35' ' ' VAL . 79.0 t -99.06 145.0 11.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.413 HD11 ' N ' ' A' ' 95' ' ' VAL . 1.4 tm? -125.8 127.99 46.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.413 ' N ' HD11 ' A' ' 94' ' ' LEU . 74.4 t -136.36 140.84 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.474 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 1.8 m-80 -117.1 123.69 47.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.4 mt -105.77 113.88 27.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.42 101.8 14.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.468 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 12.6 mttt -55.47 140.33 40.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 26.1 m -89.93 43.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 141.81 169.54 12.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -71.42 94.2 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -128.89 156.16 44.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.463 ' CG ' ' O ' ' A' ' 104' ' ' TRP . 17.4 p90 -105.46 93.41 4.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 107.999 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.522 ' CG ' HD21 ' A' ' 31' ' ' LEU . 9.4 m95 -69.52 88.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -55.8 -20.6 15.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.446 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . . . -161.49 -175.91 5.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.516 HG13 ' CG ' ' A' ' 24' ' ' TRP . 6.9 mm -97.18 -47.67 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 59.4 mt -109.21 174.02 6.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.478 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 7.9 t30 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.478 ' CD2' ' HB3' ' A' ' 21' ' ' ASN . 30.7 p90 -157.32 135.36 10.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -86.43 142.83 28.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CZ2' ' HA ' ' A' ' 107' ' ' ALA . 19.0 p-90 -152.9 160.07 43.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 108.035 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.1 m -147.9 162.55 39.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -118.81 130.98 56.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -117.42 179.5 4.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -39.72 -59.0 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 111.05 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.8 t -151.05 75.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.377 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 165.97 142.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mp -113.9 152.6 30.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -148.74 118.05 6.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.342 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -123.63 130.93 73.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.472 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 36.9 mtt85 -114.62 131.71 56.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.411 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 56.8 t -113.21 131.68 22.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.03 141.53 26.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.956 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.4 m -126.52 158.43 67.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.498 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.06 177.08 9.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -84.78 10.05 12.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.498 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 4.1 p-80 -111.14 -3.21 15.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.605 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.477 HG23 ' CD2' ' A' ' 40' ' ' HIS . 13.5 t -102.83 111.25 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.405 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . 22.2 m -133.47 -41.88 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -84.02 127.84 34.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -50.41 -29.56 17.09 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -13.09 43.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -80.31 -14.26 58.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.245 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.43 156.37 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -118.11 139.91 50.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.539 HG23 ' CE3' ' A' ' 85' ' ' TRP . 39.6 t -137.3 135.54 47.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -132.8 124.26 27.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.0 mt -123.72 117.26 24.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.491 ' O ' ' CG2' ' A' ' 80' ' ' THR . 0.1 OUTLIER -121.07 -64.09 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' ' 52' ' ' SER . 79.8 p 176.48 -52.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.033 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.84 36.15 4.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.4 147.33 20.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.546 ' CD1' ' CG2' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -142.98 150.83 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.521 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 1.1 ttt180 -139.69 131.71 27.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.546 ' CG2' ' CD1' ' A' ' 56' ' ' ILE . 10.7 t -140.9 104.77 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.44 157.66 42.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.496 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -138.47 143.84 39.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.496 ' O ' ' CE ' ' A' ' 60' ' ' MET . 14.0 mt -77.37 132.33 38.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -95.86 -68.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -164.4 -67.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -92.21 -6.31 50.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -162.17 -135.12 1.76 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.475 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 1.7 pm0 -158.29 176.59 12.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 0.78 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -142.05 139.26 32.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.8 t -88.15 97.2 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.1 mt -60.36 -55.42 33.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.448 ' HE3' ' CE1' ' A' ' 22' ' ' TYR . 17.3 ttt -141.68 145.14 34.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 72' ' ' GLY . 59.3 tt0 -179.01 158.04 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.438 ' N ' ' CG ' ' A' ' 71' ' ' GLU . . . 142.36 157.22 7.07 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -65.64 126.93 29.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.412 ' CD2' HG21 ' A' ' 108' ' ' ILE . 21.2 mt -66.44 162.42 20.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.4 p -71.33 -42.51 68.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.439 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.569 ' CD2' ' CD1' ' A' ' 103' ' ' TYR . 43.0 m80 -128.56 -176.11 3.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.591 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -88.59 170.63 10.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.413 ' CG2' ' CZ2' ' A' ' 105' ' ' TRP . 2.3 pp -150.42 164.99 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.364 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 82' ' ' SER . 1.2 t-20 -95.76 77.93 3.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 52' ' ' SER . 69.9 p -38.2 -34.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.419 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -56.67 -53.26 59.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 79' ' ' ASN . 5.2 m -74.37 -28.26 61.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.2 m -68.93 142.79 54.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.7 179.49 6.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.539 ' CE3' HG23 ' A' ' 49' ' ' VAL . 1.1 p-90 -165.19 127.23 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.6 p -129.86 129.24 43.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 0.9 OUTLIER -90.46 140.54 29.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -119.57 133.43 23.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.26 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.405 ' HB3' ' CB ' ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.98 122.61 7.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.459 1.768 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 57.16 48.96 75.83 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -151.36 -101.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -161.68 176.22 11.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 108.318 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.7 t -108.53 123.31 64.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.507 ' C ' ' CD1' ' A' ' 94' ' ' LEU . 1.5 tm? -98.39 127.74 44.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 69.7 t -131.66 116.77 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.04 128.64 44.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.2 mt -111.83 136.95 50.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.2 t -94.07 152.07 19.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.53 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 18.6 mttt -89.32 139.54 30.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.3 t -128.21 93.27 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.81 158.43 30.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -69.57 94.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.569 ' CD1' ' CD2' ' A' ' 76' ' ' HIS . 20.2 m-85 -128.58 155.39 45.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 26.2 p90 -100.43 99.16 9.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 108.032 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.53 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 31.9 m95 -74.17 83.56 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.013 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -73.91 -5.07 38.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.559 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . . . -177.23 -172.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.412 HG21 ' CD2' ' A' ' 74' ' ' LEU . 4.9 mm -100.94 -53.22 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.2 mt -102.94 -177.11 3.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.269 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.7 t30 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.546 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 38.4 p90 -164.79 130.3 2.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.8 m -87.02 148.99 25.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.505 ' CD2' HG12 ' A' ' 108' ' ' ILE . 5.5 p-90 -146.78 161.91 39.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 107.952 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.465 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 8.4 p -147.91 169.51 19.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.986 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -126.03 140.36 52.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.358 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.462 ' OD1' ' CB ' ' A' ' 30' ' ' ASP . 0.9 OUTLIER -132.75 -179.18 5.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 27' ' ' ASP . 3.1 m-85 -37.12 -62.23 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.9 p -148.95 75.92 1.32 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.383 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.462 ' CB ' ' OD1' ' A' ' 27' ' ' ASP . 0.2 OUTLIER 166.96 162.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.463 ' CD2' ' CE3' ' A' ' 105' ' ' TRP . 1.9 mp -128.49 145.34 51.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -129.63 113.11 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -122.83 117.04 50.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -106.85 126.54 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.447 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 58.5 t -106.81 130.19 23.26 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 139.03 23.83 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.491 1.785 . . . . 0.0 110.956 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.418 ' CG1' HG22 ' A' ' 93' ' ' VAL . 32.6 m -123.83 159.18 57.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.48 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.03 176.98 9.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -85.92 12.38 9.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.48 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 4.4 p-80 -113.38 -3.74 13.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.606 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.415 HG23 ' CD2' ' A' ' 40' ' ' HIS . 12.1 t -101.48 103.67 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.427 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 12.1 m -125.46 -39.21 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -82.19 139.49 34.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.73 -1.57 58.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -10.81 35.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 0.804 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -94.88 17.7 13.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.14 129.21 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.35 121.14 41.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 110.049 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.566 HG21 ' CZ3' ' A' ' 85' ' ' TRP . 42.7 t -128.56 131.6 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -127.28 111.88 14.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.427 1.08 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.0 mt -92.05 117.87 30.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.498 ' C ' ' CG2' ' A' ' 80' ' ' THR . 4.7 m -117.05 168.69 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 78' ' ' ILE . 3.5 m -72.9 -33.37 65.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.9 p -138.47 38.93 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 m -167.83 173.98 7.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.547 ' CD1' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -164.36 153.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.142 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.547 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -136.84 135.71 38.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.546 ' CG2' ' CD1' ' A' ' 56' ' ' ILE . 11.3 t -141.35 105.02 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -132.13 155.01 48.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.424 ' HG2' ' CG ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -132.22 137.94 47.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.422 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 14.4 mt -73.79 133.32 43.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -98.64 -65.0 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.66 -66.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -90.64 -7.23 53.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -163.94 -133.82 1.55 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.422 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -160.05 -178.25 6.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.785 . . . . 0.0 110.312 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -146.06 140.64 26.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.36 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.0 t -90.62 101.97 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.424 ' CG ' ' HG2' ' A' ' 60' ' ' MET . 33.4 mt -66.77 -48.55 68.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.465 ' SD ' ' CG ' ' A' ' 22' ' ' TYR . 20.1 ttt -145.16 133.11 21.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -164.29 149.59 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 148.55 158.36 7.97 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.28 139.67 50.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.436 ' CD2' HG23 ' A' ' 108' ' ' ILE . 16.1 mt -75.22 169.11 18.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.3 p -78.93 -45.09 21.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.386 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 38.4 m80 -126.61 161.15 28.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.609 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -66.25 168.27 8.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.423 HD13 ' N ' ' A' ' 80' ' ' THR . 1.7 pp -147.56 -166.91 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -121.75 85.38 2.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.498 ' CG2' ' C ' ' A' ' 52' ' ' SER . 25.2 p -48.58 -40.86 28.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.435 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -55.44 -55.38 32.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.401 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 0.3 OUTLIER -71.51 -25.89 62.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.0 m -77.02 139.94 40.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.494 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 1.1 pp -137.33 179.17 6.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.566 ' CZ3' HG21 ' A' ' 49' ' ' VAL . 5.6 p-90 -159.77 150.84 19.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 107.968 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.8 m -140.87 159.01 43.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -114.24 140.65 48.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -122.45 133.44 24.4 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.353 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.93 119.0 5.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 57.31 50.6 63.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -149.85 -102.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -163.45 175.28 10.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 108.355 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.418 HG22 ' CG1' ' A' ' 37' ' ' VAL . 97.5 t -103.65 138.15 29.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.459 ' C ' ' CD1' ' A' ' 94' ' ' LEU . 2.1 tm? -110.3 134.55 52.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 66.9 t -136.83 123.34 29.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.494 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 17.9 m120 -105.55 114.14 28.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.0 mt -103.12 120.28 40.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.401 ' CB ' ' HB3' ' A' ' 82' ' ' SER . 0.4 OUTLIER -97.85 125.63 42.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.513 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 15.5 mttt -76.52 149.65 36.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 17.1 m -92.37 42.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 143.9 -163.61 27.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -95.97 94.76 7.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -128.32 155.24 44.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.561 ' CD1' ' O ' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -104.85 112.1 25.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 108.019 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.513 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 8.3 m95 -91.13 119.95 31.67 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -92.24 -16.72 25.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -165.49 157.6 15.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.505 HG12 ' CD2' ' A' ' 24' ' ' TRP . 4.8 mm -76.6 -61.34 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.2 mt -97.56 156.97 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.6 t30 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.532 ' CG ' ' SD ' ' A' ' 70' ' ' MET . 48.0 p90 -160.93 130.63 4.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.9 m -86.93 156.24 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.507 ' CG ' HG13 ' A' ' 108' ' ' ILE . 6.5 p-90 -163.41 163.88 24.81 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.3 m -151.41 159.79 44.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.026 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -112.9 132.14 55.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.336 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -113.94 177.87 4.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -43.72 -41.75 5.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.4 t -162.84 69.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 110.44 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 165.69 158.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.511 HD23 ' CD2' ' A' ' 105' ' ' TRP . 1.0 OUTLIER -125.45 159.23 32.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -146.74 104.77 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.65 116.57 52.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -106.55 123.61 48.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.097 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.483 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 95.1 t -104.38 133.12 20.37 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 137.12 21.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.9 m -122.78 158.78 55.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.277 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.5 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.97 179.11 6.39 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -86.91 12.9 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.5 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 5.3 p-80 -114.77 -3.72 12.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.589 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.3 t -102.07 109.81 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.412 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 15.8 m -130.04 -41.51 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.48 144.85 37.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.38 -2.73 84.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.156 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -15.91 28.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.755 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -83.18 7.92 14.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.65 140.31 33.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 m -106.44 139.33 41.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.562 HG11 ' CD1' ' A' ' 85' ' ' TRP . 78.9 t -138.96 119.97 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -113.32 120.12 40.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.2 mt -119.07 124.2 46.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.423 ' O ' ' CG2' ' A' ' 80' ' ' THR . 17.1 m -128.38 -58.84 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.1 t 172.25 -59.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.003 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.0 p -114.7 31.43 6.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.969 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.41 ' N ' HD12 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -154.28 145.02 22.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.542 ' CD1' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -142.83 151.59 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.542 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 8.5 ttt180 -140.01 134.35 31.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.486 ' CG2' ' CD1' ' A' ' 56' ' ' ILE . 21.2 t -139.07 98.15 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -122.97 151.45 41.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.417 ' HG2' ' CD2' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -128.79 145.12 51.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.406 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 11.8 mt -78.26 128.64 34.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 64' ' ' ASN . 6.8 mm-40 -106.97 38.22 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 66.42 -73.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 62' ' ' GLU . 3.3 m-20 -64.09 -32.02 73.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.85 -131.35 1.21 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.406 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -158.31 172.86 17.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 110.302 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -149.03 142.78 25.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.8 t -87.54 98.83 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.417 ' CD2' ' HG2' ' A' ' 60' ' ' MET . 37.2 mt -62.48 -54.62 37.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.532 ' SD ' ' CG ' ' A' ' 22' ' ' TYR . 20.5 ttt -139.15 133.57 31.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.443 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 9.5 tm-20 -162.73 152.08 15.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.443 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 151.49 159.28 8.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.23 112.77 14.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.774 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.445 ' CD2' HG21 ' A' ' 108' ' ' ILE . 8.9 mt -48.42 172.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.0 p -88.07 -38.96 15.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 105' ' ' TRP . 17.8 m80 -126.1 176.42 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.625 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -90.52 166.24 13.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.463 ' C ' ' CG1' ' A' ' 100' ' ' VAL . 1.8 pp -140.48 -172.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 83' ' ' SER . 7.5 t-20 -111.79 79.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.423 ' CG2' ' O ' ' A' ' 52' ' ' SER . 80.2 p -47.55 -23.33 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.437 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -73.0 -41.9 63.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.459 ' N ' ' HG3' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -94.25 -9.54 35.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.966 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' ASN . 3.8 m -82.27 149.76 27.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.015 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.72 179.78 7.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.562 ' CD1' HG11 ' A' ' 49' ' ' VAL . 7.6 p-90 -164.79 129.25 2.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 107.976 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.99 153.4 33.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -114.0 139.02 49.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.153 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -119.44 132.73 23.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.96 124.5 8.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.15 44.74 88.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -146.04 -101.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -162.87 166.54 23.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 108.284 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 35' ' ' VAL . 88.0 t -92.36 142.6 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.91 131.94 56.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 71.0 t -135.32 106.44 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -88.54 125.99 35.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 15.6 mt -112.73 116.56 30.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 m -92.19 109.24 20.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.485 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 28.9 mttt -55.21 145.35 21.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.463 ' CG1' ' C ' ' A' ' 78' ' ' ILE . 30.2 m -91.25 42.44 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 128.52 -178.82 16.96 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.44 94.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.286 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -128.33 155.69 44.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -107.68 112.79 25.66 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.549 ' CZ2' ' HB2' ' A' ' 76' ' ' HIS . 14.3 m95 -95.6 126.99 41.26 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -107.31 -9.95 15.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -171.03 163.8 7.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.507 HG13 ' CG ' ' A' ' 24' ' ' TRP . 3.3 mm -88.42 -59.38 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.8 mt -101.26 167.12 10.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.306 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.539 ' CE1' ' HE3' ' A' ' 70' ' ' MET . 34.0 p90 -156.86 135.17 11.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 85.1 m -86.58 159.26 19.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.364 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.56 ' CE3' HD11 ' A' ' 108' ' ' ILE . 4.3 p-90 -162.67 161.34 26.46 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.99 175.63 12.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.014 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.92 108.1 4.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -133.08 142.79 48.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 60.85 -78.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.4 t -176.26 53.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.0 p30 -152.47 174.47 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.516 HD21 ' CG ' ' A' ' 105' ' ' TRP . 0.4 OUTLIER -132.14 115.17 15.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.61 101.97 10.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -109.15 116.36 51.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.5 mtt180 -106.48 131.06 54.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 48.1 t -113.19 131.55 22.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.0 Cg_endo -75.04 142.66 28.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.523 1.801 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.0 m -127.65 158.67 69.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.622 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.0 177.27 8.81 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -86.11 12.52 9.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.622 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 8.0 p-80 -113.63 -3.59 13.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.62 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.446 HG23 ' CD2' ' A' ' 40' ' ' HIS . 21.2 t -103.27 110.38 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 16.5 m -129.79 -41.34 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -79.35 147.15 32.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.44 -16.18 80.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.83 -13.77 59.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' LEU . 2.4 mt-30 -80.64 -15.77 55.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.17 143.42 37.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.1 m -105.49 137.58 43.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.045 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.555 HG22 ' CH2' ' A' ' 85' ' ' TRP . 47.3 t -133.85 103.99 5.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.26 112.65 25.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.0 mt -112.3 136.58 51.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.471 ' O ' ' CG2' ' A' ' 80' ' ' THR . 24.7 m -127.52 -70.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.032 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 95.1 p 179.3 -48.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 74' ' ' LEU . 5.4 p -119.68 31.51 6.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.6 t -162.1 173.84 13.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.017 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.558 ' CD1' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -165.06 156.47 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.558 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -138.54 130.57 28.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.538 ' CG2' ' CD1' ' A' ' 56' ' ' ILE . 19.8 t -136.53 97.42 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.95 159.19 26.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.468 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -139.11 143.94 38.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 12.6 mt -76.55 132.71 39.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -97.59 -68.04 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.16 -69.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -90.47 -8.01 51.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.93 -136.07 1.94 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.474 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -157.24 -177.49 6.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 0.78 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -148.68 143.0 26.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.4 t -91.48 97.26 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 58' ' ' VAL . 51.4 mt -57.14 -60.11 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.539 ' HE3' ' CE1' ' A' ' 22' ' ' TYR . 25.4 ttt -132.09 144.72 50.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 14.2 tm-20 -175.77 148.61 0.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.452 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 149.6 153.49 6.07 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -68.47 125.25 25.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 0.813 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.477 ' HB3' ' CZ3' ' A' ' 105' ' ' TRP . 9.2 mt -64.92 174.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.7 p -83.13 -35.51 25.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.433 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.449 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 5.2 m-70 -132.67 176.7 8.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.576 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -87.41 159.98 18.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.454 HG22 ' CZ2' ' A' ' 105' ' ' TRP . 2.1 pp -136.56 176.69 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -104.03 82.5 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.471 ' CG2' ' O ' ' A' ' 52' ' ' SER . 2.4 p -46.98 -27.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -71.11 -50.79 29.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.71 -19.73 58.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.9 m -78.86 161.23 26.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.78 179.63 8.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.555 ' CH2' HG22 ' A' ' 49' ' ' VAL . 2.6 p-90 -164.6 130.74 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.32 135.16 50.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.485 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 0.9 OUTLIER -97.08 140.78 31.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -120.14 133.4 23.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.93 124.3 8.56 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.94 46.68 83.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -148.61 -101.36 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -161.92 173.54 14.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 108.3 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 36.6 t -100.83 135.91 34.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.418 ' CD1' ' ND2' ' A' ' 96' ' ' ASN . 2.2 tm? -105.46 132.38 51.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 72.9 t -137.36 119.31 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.418 ' ND2' ' CD1' ' A' ' 94' ' ' LEU . 4.4 m-80 -102.83 132.47 49.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.9 mt -120.4 118.05 29.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.83 109.54 22.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.957 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -55.27 141.55 35.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.1 m -92.21 41.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.31 175.24 13.81 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.137 . . . . 0.0 110.957 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -69.54 94.26 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 0.738 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -129.07 155.95 44.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.466 ' CG ' ' O ' ' A' ' 104' ' ' TRP . 13.7 p90 -111.98 93.01 4.24 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.516 ' CG ' HD21 ' A' ' 31' ' ' LEU . 10.6 m95 -73.27 84.88 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.025 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -58.7 -17.21 20.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -164.58 161.22 20.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.56 HD11 ' CE3' ' A' ' 24' ' ' TRP . 15.2 mm -74.87 -60.58 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.5 mt -103.62 175.15 5.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 110.261 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.1 t30 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.533 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 42.8 p90 -159.45 129.46 5.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 p -86.49 157.96 19.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 110.433 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.526 ' CE2' HG12 ' A' ' 108' ' ' ILE . 8.0 p-90 -163.81 165.98 22.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 108.017 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.5 p -149.12 156.03 41.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.402 ' HB3' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -108.27 127.47 53.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.265 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -114.86 170.18 8.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -38.16 -33.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.7 t -172.32 73.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 t70 170.86 154.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.439 HD23 ' CZ3' ' A' ' 24' ' ' TRP . 2.4 mp -129.14 114.68 16.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.11 107.57 18.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.137 . . . . 0.0 110.259 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.15 134.38 54.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.444 ' CG ' HD21 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -123.16 131.21 53.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.472 HG13 ' CD1' ' A' ' 69' ' ' LEU . 92.1 t -110.78 130.41 22.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 138.4 22.97 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.53 1.805 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.406 ' HB ' ' HD2' ' A' ' 38' ' ' PRO . 32.6 m -121.41 159.65 49.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.591 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.05 -178.86 4.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.73 10.27 21.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.591 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 3.6 p-80 -108.38 -5.57 16.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.575 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 t -101.08 99.71 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.508 HG13 ' CB ' ' A' ' 89' ' ' PRO . 27.5 m -142.94 16.63 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.85 -87.83 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 154.63 -33.77 0.69 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.7 pttt -76.65 -11.8 59.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 0.794 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 61' ' ' LEU . 22.6 mt-30 -76.4 -26.63 55.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.98 141.29 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -112.85 153.87 27.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.529 HG21 ' CZ2' ' A' ' 85' ' ' TRP . 65.7 t -140.97 131.85 27.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.438 ' HB1' ' CB ' ' A' ' 57' ' ' ARG . . . -127.42 110.75 13.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.2 mt -114.45 123.17 48.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.461 ' O ' ' CG2' ' A' ' 80' ' ' THR . 7.5 m -119.04 -65.97 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 52' ' ' SER . 29.1 t 174.16 -55.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.0 p -114.94 26.31 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.027 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.2 t -155.11 175.06 14.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.48 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -164.75 155.68 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.438 ' CB ' ' HB1' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -143.33 132.06 22.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.48 HG21 ' CD1' ' A' ' 56' ' ' ILE . 78.5 t -138.07 131.03 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -151.1 164.01 37.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.555 ' HE2' ' CE1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -147.37 139.16 24.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.991 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.484 ' O ' ' CE ' ' A' ' 60' ' ' MET . 12.8 mt -73.23 129.21 37.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -95.61 -67.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.01 -72.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.33 -8.69 57.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.91 -135.53 1.83 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.469 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -154.74 -173.21 4.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.291 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -152.91 139.62 18.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.412 ' CG1' ' HB2' ' A' ' 71' ' ' GLU . 81.9 t -89.53 96.99 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.472 ' CD1' HG13 ' A' ' 35' ' ' VAL . 28.7 mt -59.35 -50.92 72.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' VAL . 25.8 ttt -139.62 143.76 37.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' A' ' 72' ' ' GLY . 0.0 OUTLIER -175.75 152.41 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.28 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.438 ' N ' ' OE1' ' A' ' 71' ' ' GLU . . . 140.11 157.53 7.27 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.563 1.164 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.74 138.98 55.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.793 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.7 mt -78.75 176.22 9.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.0 p -83.82 -33.05 25.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.393 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 103' ' ' TYR . 68.9 m-70 -137.59 -173.35 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.585 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -90.2 169.61 10.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.4 pp -148.9 159.83 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -86.42 83.65 7.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.461 ' CG2' ' O ' ' A' ' 52' ' ' SER . 16.9 p -51.2 -21.05 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -76.02 -41.22 51.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.324 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.64 -10.82 41.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.9 m -89.02 120.59 30.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.9 OUTLIER -114.86 179.47 3.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.529 ' CZ2' HG21 ' A' ' 49' ' ' VAL . 1.6 p-90 -159.75 126.97 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 108.019 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.9 m -119.99 149.32 42.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.401 ' CD2' ' N ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER -106.03 141.95 36.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.401 ' N ' ' CD2' ' A' ' 87' ' ' LEU . 2.4 mt-10 -123.46 134.22 25.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.508 ' CB ' HG13 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -74.98 120.23 5.99 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.6 47.21 78.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -144.21 -102.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.4 p -163.86 167.89 20.18 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.12 . . . . 0.0 108.301 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 43.0 t -94.42 130.23 43.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.444 HD21 ' CG ' ' A' ' 34' ' ' ARG . 2.6 tm? -106.9 129.37 54.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.458 ' CG2' ' HB2' ' A' ' 85' ' ' TRP . 64.6 t -135.97 129.23 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.47 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 1.0 OUTLIER -101.11 113.49 26.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.6 mt -101.65 115.13 29.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.3 146.34 27.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -83.19 134.33 34.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.5 t -115.99 92.99 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.58 150.4 10.2 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.442 1.089 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.21 93.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.317 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.567 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 30.6 m-85 -129.3 156.03 44.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.502 ' O ' ' CD2' ' A' ' 76' ' ' HIS . 1.2 t-105 -88.84 116.36 27.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 108.027 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.452 ' O ' ' CB ' ' A' ' 106' ' ' ASN . 11.7 m95 -91.55 -75.26 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 108.009 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 105' ' ' TRP . 1.5 t-20 78.4 -52.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.349 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -128.93 161.29 30.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.526 HG12 ' CE2' ' A' ' 24' ' ' TRP . 10.1 mm -77.91 -58.83 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 64.6 mt -102.69 160.98 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 2.1 p30 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.549 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 38.3 p90 -138.93 129.86 26.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 p -89.01 149.8 23.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.364 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.607 ' CD2' ' CG1' ' A' ' 108' ' ' ILE . 19.1 p-90 -154.8 163.77 39.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 107.992 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.4 p -153.97 160.19 41.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.972 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -108.27 125.59 51.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -105.36 -178.63 3.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -38.4 -58.1 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.1 t -151.59 70.49 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 165.54 150.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.13 155.33 18.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -142.51 107.54 4.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -121.35 120.11 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -108.45 123.25 48.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.476 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 48.0 t -101.38 129.52 26.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 136.71 20.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.776 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.4 m -121.46 158.97 52.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.535 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.96 175.94 10.56 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.462 1.77 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -83.56 7.76 16.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.544 ' CD2' HG23 ' A' ' 41' ' ' VAL . 2.8 p-80 -106.39 -4.69 19.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.622 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.544 HG23 ' CD2' ' A' ' 40' ' ' HIS . 25.5 t -102.45 109.27 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.0 m -137.27 19.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -142.85 146.63 34.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.47 -25.83 75.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.19 -14.73 61.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -81.74 5.01 19.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.234 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.93 169.11 16.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.13 126.25 38.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.508 HG22 ' CD2' ' A' ' 85' ' ' TRP . 54.1 t -126.13 131.6 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -129.13 110.91 12.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.9 mt -111.66 128.12 55.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 53' ' ' SER . 0.6 OUTLIER -132.92 -59.79 0.88 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 52' ' ' SER . 14.6 t 170.78 -45.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.39 38.46 3.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.996 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.94 153.08 32.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.406 HD11 ' CG2' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -149.85 142.83 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -143.93 122.88 12.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.406 ' CG2' HD11 ' A' ' 56' ' ' ILE . 49.0 t -132.41 96.94 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.21 129.79 51.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.5 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -103.26 143.48 32.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.5 ' O ' ' CE ' ' A' ' 60' ' ' MET . 8.4 mt -71.68 139.54 49.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -105.64 -173.17 2.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -68.77 -38.24 79.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -134.63 54.68 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 142.12 -141.16 10.61 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.12 169.55 22.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -139.11 141.19 38.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.0 t -94.43 97.11 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.475 HD12 ' CG1' ' A' ' 35' ' ' VAL . 22.8 mt -64.05 -50.71 67.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.47 ' SD ' ' CG ' ' A' ' 22' ' ' TYR . 27.7 ttt -141.33 145.58 35.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 11.6 tm-20 -177.55 151.32 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.446 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 147.63 148.96 4.86 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.76 115.18 7.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 47.4 mt -52.46 174.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.465 ' CG2' ' O ' ' A' ' 107' ' ' ALA . 44.4 p -93.05 -37.69 12.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.448 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.417 ' NE2' ' HB3' ' A' ' 104' ' ' TRP . 0.3 OUTLIER -119.63 174.42 6.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -91.84 159.15 15.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.497 ' CG2' ' CZ2' ' A' ' 105' ' ' TRP . 2.2 pp -139.77 157.2 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.417 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 3.4 t-20 -88.41 81.41 7.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' A' ' 52' ' ' SER . 52.4 p -40.33 -39.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.399 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -51.91 -57.83 8.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.09 -29.91 68.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.048 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.5 m -66.67 162.46 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.3 OUTLIER -151.67 178.65 9.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.508 ' CD2' HG22 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -164.97 125.54 1.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.2 m -128.06 162.71 26.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.35 144.94 46.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -127.32 135.8 27.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 118.72 5.37 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.766 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.2 51.66 54.49 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -150.12 -102.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.336 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.2 p -164.03 175.42 10.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 108.289 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 45.9 t -102.54 130.69 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -96.9 129.32 44.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 86.8 t -137.9 136.54 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.476 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 3.6 m-80 -126.82 112.22 15.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 17.6 mt -92.51 118.32 30.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.417 ' CB ' ' HB3' ' A' ' 79' ' ' ASN . 24.7 t -70.5 138.85 51.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.602 ' HB3' ' CD1' ' A' ' 103' ' ' TYR . 2.0 mmtp -84.19 145.48 28.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 101' ' ' GLY . 1.7 m -132.27 144.05 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.369 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.656 ' O ' ' CD1' ' A' ' 103' ' ' TYR . . . 36.81 -138.14 0.47 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.51 1.131 . . . . 0.0 111.031 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -68.66 102.38 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.656 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 4.4 m-30 -67.0 93.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.417 ' HB3' ' NE2' ' A' ' 76' ' ' HIS . 9.7 t-105 -117.04 92.66 3.92 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.506 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 60.0 m95 -123.5 119.58 30.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -127.61 6.14 6.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.465 ' O ' ' CG2' ' A' ' 75' ' ' THR . . . 176.67 106.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.607 ' CG1' ' CD2' ' A' ' 24' ' ' TRP . 5.5 mm -37.08 -50.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 41.6 mt -115.87 152.46 33.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 41.4 p90 -147.4 126.11 12.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 p -94.76 157.01 16.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.438 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.65 ' CG ' ' CG1' ' A' ' 108' ' ' ILE . 11.3 p-90 -153.13 163.1 40.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.006 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.2 m -150.16 161.08 43.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -113.34 130.8 56.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.4 178.33 4.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -38.21 -55.0 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.26 75.83 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.43 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 164.93 149.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.561 HD22 ' CE3' ' A' ' 105' ' ' TRP . 2.2 mp -112.11 134.92 53.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -122.98 104.55 9.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.68 122.83 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.13 131.91 56.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.434 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 21.6 t -110.97 134.68 20.94 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.1 Cg_endo -75.07 140.92 25.84 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.7 m -128.12 158.17 71.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.568 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.0 177.97 7.89 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -85.55 11.15 11.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.568 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 4.2 p-80 -111.05 -4.61 15.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.584 1.178 . . . . 0.0 109.62 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.442 HG21 ' CD2' ' A' ' 40' ' ' HIS . 15.6 t -100.08 108.74 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.436 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 16.2 m -130.2 -40.69 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -85.84 130.58 34.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.88 -17.03 53.89 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -74.34 -6.74 49.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -92.39 -15.49 27.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.36 135.49 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.9 m -96.32 140.09 31.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.025 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.556 HG21 ' CE3' ' A' ' 85' ' ' TRP . 44.8 t -139.79 127.06 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -127.34 111.89 14.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -112.85 127.07 56.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.267 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.504 ' O ' ' CG2' ' A' ' 80' ' ' THR . 70.1 m -128.92 -63.01 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.414 ' HB3' ' O ' ' A' ' 52' ' ' SER . 68.9 p 175.27 -52.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 100.0 p -121.04 33.45 5.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.38 152.67 27.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.969 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.55 ' CD1' ' CG2' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -149.34 150.27 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.501 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 15.4 ttt180 -138.99 130.68 27.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.55 ' CG2' ' CD1' ' A' ' 56' ' ' ILE . 6.8 t -139.93 97.27 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -127.84 142.93 51.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.472 ' HG2' ' CD2' ' A' ' 69' ' ' LEU . 1.9 ptm -114.36 137.55 51.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 mt -67.31 140.1 57.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -104.81 -174.63 2.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -72.48 -21.71 61.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -147.6 51.19 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 142.37 -134.97 6.35 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.13 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -157.15 -179.21 7.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.52 147.67 23.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.7 t -92.75 113.19 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.472 ' CD2' ' HG2' ' A' ' 60' ' ' MET . 77.3 mt -73.37 -51.39 17.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.592 ' SD ' ' CD1' ' A' ' 22' ' ' TYR . 12.7 ttt -125.1 -93.24 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.468 ' N ' ' HG2' ' A' ' 70' ' ' MET . 3.6 tt0 59.58 146.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.42 ' HA3' ' CD1' ' A' ' 109' ' ' LEU . . . 150.11 149.08 4.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.577 1.173 . . . . 0.0 111.019 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -68.55 124.35 23.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.7 mt -66.13 157.1 32.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.0 p -73.64 -38.66 64.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -126.51 -176.85 3.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.58 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -90.17 168.96 11.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.4 pp -147.96 164.13 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 80' ' ' THR . 5.1 t-20 -95.11 79.68 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 52' ' ' SER . 69.5 p -37.87 -49.9 1.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 110.384 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -47.28 -53.82 12.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -31.64 67.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.5 m -76.46 157.56 32.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 1.4 pp -155.04 179.23 9.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.556 ' CE3' HG21 ' A' ' 49' ' ' VAL . 5.3 p-90 -151.02 121.87 7.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.01 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.9 m -117.89 126.53 52.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.949 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.445 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 1.2 tm? -91.63 143.57 26.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 92' ' ' CYS . 0.4 OUTLIER -124.67 135.37 26.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.436 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.94 123.06 7.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.551 1.816 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.58 59.78 9.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -161.01 -97.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -164.03 177.67 8.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 108.281 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.1 t -105.12 132.29 52.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -101.35 134.74 43.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 63.4 t -139.95 108.18 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.485 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 15.1 m120 -95.3 107.53 19.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.9 mt -96.58 131.87 42.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.15 157.26 18.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.023 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -90.64 137.68 32.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 24.3 t -125.6 90.95 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.54 152.48 23.34 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 94.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 0.797 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -128.94 155.93 44.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -98.38 103.8 15.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 107.959 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.561 ' CE3' HD22 ' A' ' 31' ' ' LEU . 20.3 m95 -80.28 94.14 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -83.26 -7.6 59.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -174.35 174.85 2.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.65 ' CG1' ' CG ' ' A' ' 24' ' ' TRP . 22.3 mm -87.25 -58.21 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.42 ' CD1' ' HA3' ' A' ' 72' ' ' GLY . 24.8 mt -100.09 164.16 12.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.264 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.1 t30 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 43.7 p90 -152.05 129.11 11.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 p -86.57 150.57 24.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.557 ' CE3' HD13 ' A' ' 108' ' ' ILE . 7.9 p-90 -155.45 160.7 40.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.6 m -147.6 161.6 40.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -108.36 136.29 48.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -126.84 170.15 12.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -37.47 -56.55 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.413 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 10.0 t -150.63 74.4 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.413 ' CB ' ' O ' ' A' ' 29' ' ' THR . 0.3 OUTLIER 162.36 159.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.572 HD22 ' CE3' ' A' ' 105' ' ' TRP . 3.4 mp -125.45 141.4 52.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.03 105.93 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.251 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -116.23 127.26 73.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -117.24 131.13 56.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.425 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 17.8 t -111.35 130.39 23.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.88 25.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.8 m -126.7 158.26 68.54 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.535 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.1 Cg_endo -74.97 176.65 9.62 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.444 1.76 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -85.72 11.75 10.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.535 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 3.5 p-80 -110.58 -5.55 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.644 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.481 HG21 ' CD2' ' A' ' 40' ' ' HIS . 42.1 t -102.59 115.16 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 17.9 m -135.71 -41.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -77.22 138.38 39.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.88 -14.05 57.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -83.11 -12.89 56.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 0.729 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -79.52 -6.43 56.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.414 ' CG2' ' HG ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -135.43 151.17 29.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -114.44 147.79 38.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.564 HG23 ' CH2' ' A' ' 85' ' ' TRP . 44.1 t -140.13 109.35 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.93 108.3 19.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.9 mt -110.79 134.77 52.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.417 ' O ' ' CG2' ' A' ' 80' ' ' THR . 63.6 m -132.23 -66.3 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.99 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.45 ' O ' HG13 ' A' ' 78' ' ' ILE . 78.5 p 177.04 -39.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.473 ' CB ' ' HD2' ' A' ' 77' ' ' LYS . 5.6 t -137.81 41.17 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.02 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.73 135.32 2.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.5 tt -124.78 152.97 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -143.99 110.32 5.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.8 t -120.83 105.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -126.52 144.81 50.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.47 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -121.37 137.02 54.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.47 ' O ' ' CE ' ' A' ' 60' ' ' MET . 9.2 mt -68.26 134.95 51.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -100.39 -173.67 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -69.65 -31.28 69.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -140.93 53.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 142.44 -138.28 8.35 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.03 169.79 22.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.787 . . . . 0.0 110.301 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.26 145.55 32.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.5 t -93.4 96.28 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.447 ' CD2' ' HG2' ' A' ' 60' ' ' MET . 45.3 mt -57.54 -58.54 7.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.476 ' SD ' ' CG ' ' A' ' 22' ' ' TYR . 25.6 ttt -135.06 136.41 42.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.456 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 11.8 tm-20 -169.61 141.62 2.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.336 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.456 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 157.2 154.48 7.08 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 123.56 18.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.445 ' CD2' HG23 ' A' ' 108' ' ' ILE . 18.8 mt -60.52 -171.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.57 ' OG1' ' CZ3' ' A' ' 105' ' ' TRP . 52.6 p -81.86 -35.57 29.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.484 ' CG ' ' O ' ' A' ' 75' ' ' THR . 34.1 m80 -163.36 -173.08 3.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.597 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.503 ' HD3' ' N ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -69.44 165.28 21.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 53' ' ' SER . 2.1 pp -152.94 -172.75 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -107.11 84.93 2.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.417 ' CG2' ' O ' ' A' ' 52' ' ' SER . 2.6 p -49.92 -47.06 52.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.418 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -50.21 -55.19 16.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.268 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.469 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 12.9 t -66.32 -33.94 76.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.949 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.6 m -68.57 124.57 23.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.991 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.44 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.5 OUTLIER -110.15 178.2 4.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.564 ' CH2' HG23 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -165.07 120.5 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 107.997 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.8 m -127.04 133.08 50.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.414 ' HG ' ' CG2' ' A' ' 47' ' ' VAL . 0.9 OUTLIER -92.11 144.49 25.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -122.82 134.87 25.25 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.5 Cg_endo -74.96 124.3 8.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.2 46.52 62.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.525 1.141 . . . . 0.0 111.049 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -145.61 -103.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -163.95 175.99 9.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 108.291 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 91.9 t -101.63 138.21 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -112.78 132.22 55.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 96' ' ' ASN . 54.4 t -138.88 143.35 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.44 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 2.6 m-80 -125.93 126.08 43.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.8 mt -107.5 117.14 33.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.469 ' CB ' ' HB3' ' A' ' 82' ' ' SER . 15.9 t -90.41 123.37 34.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.566 ' HD3' ' CD1' ' A' ' 105' ' ' TRP . 0.9 OUTLIER -72.42 129.93 39.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.416 ' CG1' ' C ' ' A' ' 78' ' ' ILE . 16.8 m -87.57 47.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 144.79 -138.13 7.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.46 94.14 3.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.293 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -128.72 156.02 44.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 28.6 p90 -94.62 111.37 23.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 107.988 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.572 ' CE3' HD22 ' A' ' 31' ' ' LEU . 21.8 m95 -96.38 81.05 3.23 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -78.37 0.02 27.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -166.38 170.94 12.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.557 HD13 ' CE3' ' A' ' 24' ' ' TRP . 5.3 mm -98.08 -53.93 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 50.1 mt -103.77 156.29 17.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.586 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 29.8 t30 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.586 ' CD2' ' HB3' ' A' ' 21' ' ' ASN . 18.3 p90 173.66 131.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.09 142.28 28.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.548 ' CE3' HD11 ' A' ' 108' ' ' ILE . 14.4 p-90 -145.27 160.19 41.87 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 92.3 p -153.91 177.79 10.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.993 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.7 116.95 6.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -132.82 132.39 42.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.402 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER 67.75 -66.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER 175.45 62.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 110.392 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -157.98 -179.24 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.509 HD21 ' CE3' ' A' ' 105' ' ' TRP . 1.1 mp -136.73 101.15 4.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.76 104.79 16.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -117.48 123.07 71.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.418 ' CG ' HD21 ' A' ' 94' ' ' LEU . 3.3 mtm180 -114.93 128.76 56.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.476 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 57.3 t -102.85 130.87 22.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 136.67 20.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.4 m -120.87 159.07 50.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.0 177.3 8.78 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.798 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.41 11.59 10.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.464 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 3.2 p-80 -112.42 -3.59 14.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.55 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.422 HG21 ' CD2' ' A' ' 40' ' ' HIS . 15.6 t -101.93 108.96 24.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.417 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 15.4 m -132.45 -41.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -76.39 143.11 40.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.34 2.56 61.63 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -94.31 -12.53 27.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -94.2 24.74 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -151.07 138.96 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.64 131.15 56.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.572 HG23 ' CE3' ' A' ' 85' ' ' TRP . 45.8 t -126.3 138.02 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.4 ' HB1' ' CB ' ' A' ' 57' ' ' ARG . . . -128.14 114.89 17.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.3 mt -116.96 122.31 43.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.49 ' O ' ' CG2' ' A' ' 80' ' ' THR . 13.8 m -125.95 -63.0 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.971 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 52' ' ' SER . 19.4 t 172.69 -51.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 74' ' ' LEU . 0.1 OUTLIER -119.85 27.66 8.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 110.027 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.14 153.24 32.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.99 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.538 ' CD1' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -148.14 151.8 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.538 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 9.1 ttt180 -139.08 134.59 33.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.503 ' CG2' ' CD1' ' A' ' 56' ' ' ILE . 20.0 t -139.33 103.32 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -127.24 163.54 23.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.474 ' HG2' ' CG ' ' A' ' 69' ' ' LEU . 1.4 ptm -142.32 136.5 29.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.412 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 15.2 mt -72.61 130.28 40.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -95.33 -69.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -165.9 -66.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -89.11 -11.95 42.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.11 -133.96 1.59 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.412 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -157.77 178.51 10.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 110.31 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -142.62 141.11 31.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 91.0 t -91.43 99.39 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.474 ' CG ' ' HG2' ' A' ' 60' ' ' MET . 31.0 mt -61.88 -53.02 61.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.462 ' CE ' HG23 ' A' ' 108' ' ' ILE . 19.2 ttt -141.8 140.96 33.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.451 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 14.5 tm-20 -170.68 150.16 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.451 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 151.36 155.67 7.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -69.57 123.05 20.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 54' ' ' SER . 15.7 mt -61.35 166.94 3.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.6 p -78.06 -42.37 32.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 38.4 m80 -130.15 169.56 15.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.567 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -77.72 166.65 22.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.9 pp -142.41 -175.69 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' THR . 22.1 m-20 -109.98 77.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 52' ' ' SER . 73.6 p -38.59 -39.09 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.354 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -57.72 -53.92 52.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 61.0 m -72.86 -19.48 61.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 110.038 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.6 m -83.81 139.74 32.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 1.0 OUTLIER -127.38 179.33 5.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.329 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.572 ' CE3' HG23 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -160.75 126.09 3.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 108.033 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.93 158.87 40.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.81 141.96 47.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -123.18 134.78 25.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.96 122.12 7.02 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.32 46.34 72.23 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.475 1.11 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.21 -103.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -163.61 174.75 11.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 108.276 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' VAL . 91.1 t -99.74 128.9 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.488 ' CD1' ' ND2' ' A' ' 96' ' ' ASN . 1.9 tm? -97.62 138.43 35.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.3 t -146.6 127.28 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . 0.488 ' ND2' ' CD1' ' A' ' 94' ' ' LEU . 2.6 m-80 -111.04 125.05 53.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.3 mt -112.87 111.8 22.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.61 102.48 14.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -49.95 146.6 4.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.0 m -90.06 44.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.53 -137.83 7.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.22 94.49 4.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 0.737 . . . . 0.0 110.26 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -128.36 155.71 44.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 19.4 t-105 -98.42 104.06 16.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 108.021 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.509 ' CE3' HD21 ' A' ' 31' ' ' LEU . 8.8 m95 -82.28 98.4 8.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 108.017 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -69.9 -16.11 63.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -168.31 171.85 8.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.548 HD11 ' CE3' ' A' ' 24' ' ' TRP . 20.0 mm -85.33 -60.26 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.3 mt -100.73 175.16 5.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.935 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 p -55.52 125.24 20.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 0.733 . . . . 0.0 109.963 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -153.11 100.96 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.08 -162.25 12.46 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.01 116.47 4.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.757 . . . . 0.0 109.98 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 m -124.54 161.91 25.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.48 -137.75 9.89 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.87 88.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.782 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.9 -33.93 15.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.23 152.92 0.7 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -50.27 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -149.62 -52.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.391 1.057 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 t -73.54 118.44 16.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -57.73 91.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 59.96 113.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.13 -164.47 36.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 110.996 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -107.08 151.66 25.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 0.78 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.2 t -131.92 141.4 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.35 169.68 22.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.45 68.27 3.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -168.81 -58.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 37.9 p90 -165.3 126.15 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.8 m -86.45 157.12 19.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.434 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.49 ' CE3' HD13 ' A' ' 108' ' ' ILE . 7.0 p-90 -162.75 163.99 26.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.167 . . . . 0.0 107.967 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.2 p -151.14 156.93 42.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.043 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -110.4 133.09 53.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -126.05 -178.99 4.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -38.47 -75.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.5 p -135.39 68.62 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.41 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 2.8 p-10 166.37 147.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.501 HD21 ' CE3' ' A' ' 105' ' ' TRP . 0.9 OUTLIER -120.32 155.95 32.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -137.57 116.23 12.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -119.13 127.99 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -115.97 126.21 53.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.418 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 39.7 t -111.59 129.97 23.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.5 Cg_endo -74.97 140.65 25.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.527 1.804 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.1 m -125.68 158.75 63.94 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.479 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.99 177.22 8.88 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.498 1.789 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.77 12.08 9.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.48 ' CD2' HG22 ' A' ' 41' ' ' VAL . 5.1 p-80 -114.29 -2.39 13.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.621 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.48 HG22 ' CD2' ' A' ' 40' ' ' HIS . 16.6 t -104.08 110.9 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 16.9 m -129.67 -41.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.53 148.51 29.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.14 -14.53 82.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -77.1 -13.58 59.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -82.65 -14.08 55.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.75 150.93 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.38 130.84 56.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.516 HG12 ' CG ' ' A' ' 85' ' ' TRP . 55.3 t -131.58 107.44 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.81 124.19 49.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.2 mt -123.81 125.68 45.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.492 ' O ' ' CG2' ' A' ' 80' ' ' THR . 41.1 m -127.34 -64.82 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.953 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 52' ' ' SER . 98.0 p 178.31 -54.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.9 33.01 5.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.86 147.04 23.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.535 ' CD1' ' CG2' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -140.71 151.24 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.137 . . . . 0.0 109.336 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.528 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -139.9 131.14 26.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.535 ' CG2' ' CD1' ' A' ' 56' ' ' ILE . 14.3 t -139.46 105.99 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -131.88 159.85 37.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.5 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -140.73 143.16 34.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.984 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.5 ' O ' ' CE ' ' A' ' 60' ' ' MET . 12.5 mt -77.82 130.8 37.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -93.54 -67.46 0.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -166.42 -65.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -94.88 -6.74 42.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.27 -134.62 1.68 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.477 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 2.0 pm0 -159.74 178.63 9.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 110.272 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.92 142.95 30.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.7 t -90.93 97.14 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.1 mt -61.34 -56.07 24.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 58' ' ' VAL . 18.1 ttt -139.81 131.2 26.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.449 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 10.2 tm-20 -163.05 153.99 16.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.449 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 147.38 158.02 7.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -68.03 130.14 42.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.425 ' CD2' HG23 ' A' ' 108' ' ' ILE . 35.7 mt -66.7 164.78 16.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.3 p -67.54 -46.26 73.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 110.368 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -134.94 -168.84 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.602 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -90.89 164.99 13.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.417 HD13 ' N ' ' A' ' 80' ' ' THR . 2.0 pp -142.05 -172.83 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -113.64 75.87 0.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 52' ' ' SER . 70.9 p -38.88 -40.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.44 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -55.72 -54.13 48.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.29 -27.92 62.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.04 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.0 m -71.02 156.31 39.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.94 179.56 7.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.516 ' CG ' HG12 ' A' ' 49' ' ' VAL . 1.6 p-90 -164.55 132.36 3.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 107.985 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.4 m -127.72 134.37 49.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.505 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 1.1 tm? -98.33 138.74 35.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -118.5 132.51 23.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.95 124.7 8.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.442 1.759 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.6 46.55 88.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -148.85 -100.27 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -163.76 173.36 12.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.289 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 46.5 t -100.43 140.62 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.421 HD13 ' N ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -114.53 130.15 56.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.421 ' N ' HD13 ' A' ' 94' ' ' LEU . 74.1 t -134.6 120.78 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -104.06 125.0 50.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.2 mt -108.12 127.41 53.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.94 114.06 27.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.571 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 27.5 mttt -62.91 146.28 53.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.3 m -97.68 41.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 139.02 -159.91 25.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -96.31 94.77 7.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -128.42 155.75 44.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 29.7 t-105 -103.28 103.1 13.09 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.129 . . . . 0.0 108.0 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.571 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 11.8 m95 -83.59 92.93 7.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 107.976 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -72.69 -12.83 61.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -164.27 175.65 9.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.49 HD13 ' CE3' ' A' ' 24' ' ' TRP . 8.2 mm -92.24 -55.59 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.2 mt -99.2 160.53 14.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.254 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.62 58.4 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 169.4 40.13 0.03 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -128.98 137.18 51.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.755 . . . . 0.0 110.263 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -41.53 138.4 1.63 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 127.86 11.02 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 23.6 pt -47.24 164.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.252 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -78.89 -51.8 9.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.252 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.6 mm -41.54 134.23 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -150.84 168.2 25.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 120' ' ' GLY . 2.1 t -126.82 174.88 8.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.958 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 119' ' ' SER . . . -60.59 -130.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 137.32 21.55 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.9 m -135.37 -55.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.97 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.5 t -44.26 -58.51 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 m 63.26 166.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 0.746 . . . . 0.0 109.965 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.8 p 44.23 83.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.19 -78.11 0.75 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 47.41 86.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.763 . . . . 0.0 110.018 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t -143.66 116.21 8.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.953 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.58 178.51 16.75 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.56 137.83 57.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 0.731 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.38 142.78 35.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -119.53 149.8 48.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.419 ' O ' ' CB ' ' A' ' 12' ' ' ASP . 18.3 Cg_endo -75.02 -47.32 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 11' ' ' PRO . 0.5 OUTLIER 76.53 -64.29 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 t -128.53 -62.6 1.02 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -158.92 128.28 5.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -57.0 95.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.79 -80.96 0.06 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -129.26 111.62 13.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.5 t -141.91 116.63 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -124.97 178.25 5.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.3 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.86 71.36 2.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -172.26 -60.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 27.0 p90 -163.5 131.06 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.9 m -88.07 151.95 22.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.383 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.518 ' CG ' HG13 ' A' ' 108' ' ' ILE . 8.6 p-90 -159.4 162.59 35.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 107.982 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 p -147.45 158.61 44.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -108.88 119.93 41.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 28' ' ' TYR . 1.4 m-20 -110.53 -179.04 3.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -37.42 -65.23 0.32 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -147.25 74.86 1.35 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 110.415 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 166.47 144.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.469 HD22 ' CZ3' ' A' ' 24' ' ' TRP . 2.7 mp -113.52 123.61 50.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.91 112.45 24.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -116.52 134.18 60.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.454 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 20.5 mtt85 -119.22 132.75 55.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.2 t -115.8 127.53 26.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.181 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 141.34 26.52 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.455 1.766 . . . . 0.0 110.96 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.4 m -125.16 158.84 62.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.06 177.45 8.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.95 14.59 7.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.567 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 7.0 p-80 -115.77 -3.85 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.601 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.476 HG22 ' CD2' ' A' ' 40' ' ' HIS . 33.6 t -103.91 111.35 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 13.9 m -128.69 -41.22 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -77.68 162.1 27.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.354 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.67 -15.81 62.91 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -79.11 -14.73 58.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -84.64 2.08 43.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.99 127.65 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.51 128.39 46.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.538 HG23 ' CZ3' ' A' ' 85' ' ' TRP . 37.9 t -130.78 122.83 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.19 106.62 15.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.9 mt -88.13 116.92 26.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 55' ' ' SER . 0.8 OUTLIER -127.11 143.19 51.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 78' ' ' ILE . 1.8 m -51.63 -26.05 8.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.9 p -148.86 53.62 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.427 ' O ' ' CB ' ' A' ' 52' ' ' SER . 0.0 OUTLIER 173.49 134.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.025 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.55 ' CD1' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -128.94 154.64 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.55 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 34.7 ttt180 -143.47 139.62 29.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.475 HG22 ' CD1' ' A' ' 56' ' ' ILE . 18.4 t -142.02 119.94 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -141.13 159.73 41.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.5 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -142.19 142.24 32.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.5 ' O ' ' CE ' ' A' ' 60' ' ' MET . 15.1 mt -75.84 133.45 40.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -102.87 -84.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -165.13 -45.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -116.9 20.34 13.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 146.18 127.54 1.87 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.476 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 1.4 pm0 -64.95 175.43 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 0.807 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -141.51 141.42 33.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.4 t -89.57 99.33 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.4 mt -61.83 -50.33 72.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.534 ' HE2' ' CE1' ' A' ' 22' ' ' TYR . 18.3 ttt -141.8 148.63 39.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.455 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 8.6 tm-20 -177.59 160.85 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.455 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 141.05 161.82 8.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.81 129.62 34.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 29.7 mt -65.07 152.36 43.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.6 p -77.1 -5.7 49.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 110.413 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.524 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 14.0 m-70 -152.85 176.73 11.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.608 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.47 ' O ' ' CG2' ' A' ' 78' ' ' ILE . 11.0 mttt -85.51 170.68 12.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.47 ' CG2' ' O ' ' A' ' 77' ' ' LYS . 1.8 pp -155.32 162.0 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' THR . 4.8 t-20 -95.17 74.39 3.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.451 HG22 ' CD1' ' A' ' 78' ' ' ILE . 74.6 p -37.6 -48.44 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -43.35 -54.74 4.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.254 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.8 m -71.04 -32.59 69.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.0 m -64.68 129.49 40.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.454 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.5 OUTLIER -116.21 178.83 4.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.538 ' CZ3' HG23 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -165.13 120.23 1.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 108.033 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.5 m -123.01 141.55 51.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.11 140.4 37.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -120.41 133.81 24.06 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.1 Cg_endo -75.05 123.97 8.25 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.39 45.62 82.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.22 -102.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.4 p -163.65 177.33 8.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 108.318 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.7 t -105.24 137.37 35.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.454 HD21 ' CZ ' ' A' ' 34' ' ' ARG . 1.6 tm? -113.64 129.14 56.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 81.7 t -136.6 139.8 44.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.454 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 1.7 m-80 -119.62 116.52 26.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.1 mt -97.03 112.35 24.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.0 t -70.48 139.82 51.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -82.81 131.58 35.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.7 t -112.61 93.73 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 77.43 148.72 3.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.13 93.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 0.0 110.321 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -129.33 153.05 48.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.514 ' O ' ' CD2' ' A' ' 76' ' ' HIS . 0.9 OUTLIER -81.14 124.16 29.02 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.524 ' CE2' ' HB2' ' A' ' 76' ' ' HIS . 7.2 m95 -102.01 -71.24 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 108.016 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.484 ' ND2' ' CB ' ' A' ' 114' ' ' PRO . 2.2 t-20 80.2 -52.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -127.23 161.63 28.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.518 HG13 ' CG ' ' A' ' 24' ' ' TRP . 3.6 mm -76.72 -63.18 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.404 ' CD1' ' O ' ' A' ' 71' ' ' GLU . 28.3 mt -97.64 163.73 12.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -70.25 -8.7 52.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -115.49 42.71 1.84 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -137.37 122.24 18.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -42.64 147.84 0.59 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.484 ' CB ' ' ND2' ' A' ' 106' ' ' ASN . 18.5 Cg_endo -74.92 -172.46 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 15.2 pt -129.87 171.18 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -108.44 -51.51 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 9.1 mm -52.95 134.2 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -150.61 131.7 14.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.337 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.75 84.49 5.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.947 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -114.76 -143.84 8.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 68.15 5.76 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.455 1.766 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.9 p -175.25 132.1 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.5 p -68.82 103.38 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.94 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.79 85.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 0.713 . . . . 0.0 110.033 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t 66.78 96.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.47 80.22 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -163.04 116.47 1.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 0.77 . . . . 0.0 110.003 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.26 -59.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.947 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.24 -138.96 3.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 61.04 164.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 0.741 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.71 157.43 7.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -138.62 146.99 53.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 179.58 5.95 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.557 1.819 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -40.64 -56.33 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 0.0 109.251 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' TYR . 20.4 p -71.46 114.19 9.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' SER . 6.5 t80 -37.75 -51.98 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -170.29 103.03 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -171.61 -107.14 0.2 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -176.88 122.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.1 m -98.88 -171.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.72 157.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.55 78.86 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.357 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.516 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 2.3 t30 173.54 -62.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.545 ' CE1' ' HE3' ' A' ' 70' ' ' MET . 36.8 p90 -159.47 133.74 7.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -86.5 146.61 26.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.519 ' CE2' HG12 ' A' ' 108' ' ' ILE . 12.7 p-90 -157.84 165.36 35.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.035 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.2 p -151.62 155.63 38.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.96 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -108.8 131.81 54.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -118.49 178.61 4.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -39.24 -59.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 t -149.63 67.11 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.415 ' N ' ' HE3' ' A' ' 99' ' ' LYS . 1.3 p-10 172.41 153.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.576 HD23 ' CE3' ' A' ' 105' ' ' TRP . 1.7 mp -124.23 156.79 36.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -146.69 107.95 4.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.96 123.22 68.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -113.1 124.3 52.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.475 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 47.3 t -105.62 133.15 20.32 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.54 21.8 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.516 1.798 . . . . 0.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.4 m -123.93 158.52 59.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.571 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.07 178.0 7.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.439 1.757 . . . . 0.0 110.968 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -85.71 12.2 9.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.571 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 6.3 p-80 -113.82 -3.6 13.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.61 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.426 HG22 ' CD2' ' A' ' 40' ' ' HIS . 16.0 t -102.51 109.34 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.428 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 15.2 m -127.8 -41.3 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -81.07 153.41 27.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.47 -12.15 80.83 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -79.98 -13.44 59.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -84.37 -13.08 53.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.47 141.32 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -103.18 136.08 43.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.427 HG12 ' CG ' ' A' ' 85' ' ' TRP . 55.5 t -139.65 113.68 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.47 114.4 27.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.0 mt -113.99 123.49 49.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.481 ' O ' ' CG2' ' A' ' 80' ' ' THR . 2.6 m -123.36 -65.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 52' ' ' SER . 99.6 p 178.39 -55.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.161 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.1 30.63 6.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.404 ' N ' HD13 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -151.72 147.98 27.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.461 HD11 ' CG2' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -140.9 150.55 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -143.78 125.57 15.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.461 ' CG2' HD11 ' A' ' 56' ' ' ILE . 99.3 t -133.76 121.96 41.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -150.1 140.26 22.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 2.0 ptm -116.91 138.32 51.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.7 mt -66.3 139.19 58.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -103.57 -174.25 2.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.06 -19.59 61.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -150.86 49.88 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 144.11 -135.15 6.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -160.9 170.49 20.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.272 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -144.45 141.54 29.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.8 t -91.55 99.11 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.2 mt -63.86 -51.67 63.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.545 ' HE3' ' CE1' ' A' ' 22' ' ' TYR . 19.8 ttt -138.38 142.21 39.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.455 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 10.9 tm-20 -171.97 154.71 3.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.455 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 142.65 155.41 6.43 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -71.14 133.52 46.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.404 HD13 ' N ' ' A' ' 55' ' ' SER . 8.7 mt -70.2 164.35 24.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.3 p -83.76 -19.9 34.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.428 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -143.66 179.45 7.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.596 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -95.86 172.48 7.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.9 pp -149.06 -171.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 82' ' ' SER . 11.8 t-20 -117.32 76.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 52' ' ' SER . 57.3 p -37.96 -46.35 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.388 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -53.67 -51.55 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 79' ' ' ASN . 0.7 OUTLIER -74.09 -27.33 60.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.9 m -75.36 163.77 27.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -155.09 179.25 9.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.453 ' CZ3' ' HB2' ' A' ' 87' ' ' LEU . 5.8 p-90 -163.81 124.37 2.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 107.993 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.0 p -115.76 136.78 52.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.453 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 1.2 tm? -99.52 139.69 34.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -119.47 133.28 23.8 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.428 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.2 Cg_endo -74.99 125.92 9.64 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.49 54.14 36.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.46 -97.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -162.14 177.49 9.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.316 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 35' ' ' VAL . 55.5 t -104.23 133.66 47.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -103.09 129.96 50.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 74.7 t -135.92 107.77 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -93.21 130.2 38.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.0 mt -113.94 129.86 56.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.23 109.17 20.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.006 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.42 ' HD3' ' CD1' ' A' ' 105' ' ' TRP . 78.4 mttt -57.49 152.61 14.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 33.5 m -102.68 44.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.02 -175.72 19.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -75.58 93.96 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -129.07 156.1 44.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.068 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 16.9 p90 -103.36 120.1 40.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 107.99 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.576 ' CE3' HD23 ' A' ' 31' ' ' LEU . 22.0 m95 -105.09 95.08 5.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 108.017 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -100.65 10.59 40.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -178.28 133.02 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.519 HG12 ' CE2' ' A' ' 24' ' ' TRP . 3.4 mm -70.61 -60.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 63.8 mt -97.73 166.3 11.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.86 162.85 28.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 80.46 -51.13 4.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.29 113.56 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -44.88 164.83 0.17 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 125.13 9.16 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 111.04 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.46 HG21 ' CZ2' ' A' ' 24' ' ' TRP . 17.5 pt -48.28 174.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -165.04 115.42 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 5.2 mt -42.41 156.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.39 141.35 57.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.1 p -137.88 108.6 6.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 71.81 -148.83 43.83 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.8 37.2 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.506 1.792 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 m -148.06 105.92 3.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.68 139.42 5.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 t -178.32 131.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.992 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.22 98.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.82 68.18 0.55 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t 72.81 -64.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.81 83.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.1 89.89 0.08 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -179.68 -58.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 110.255 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.61 149.83 29.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -90.37 155.49 46.41 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 176.35 10.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.9 p30 -156.24 155.77 32.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.11 -51.24 18.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.7 t80 45.74 93.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -173.71 -56.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -122.93 -83.51 0.64 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.93 122.73 10.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 109.327 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.1 m -106.43 -170.0 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.0 -169.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.251 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -109.99 62.86 0.6 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 110.252 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -172.0 -60.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 39.2 p90 -158.35 127.95 5.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 p -86.7 155.02 20.54 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.523 ' CG ' HG13 ' A' ' 108' ' ' ILE . 16.6 p-90 -163.92 165.03 23.1 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.5 p -153.8 174.14 14.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -113.66 130.63 56.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.92 179.82 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -37.91 -52.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.4 t -158.51 68.69 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.386 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 172.82 158.61 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.498 HD22 ' CG ' ' A' ' 105' ' ' TRP . 2.7 mp -117.81 125.94 51.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.32 112.1 22.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -116.85 122.66 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.463 ' CG ' HD23 ' A' ' 94' ' ' LEU . 26.0 mtt180 -108.36 131.92 54.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.427 ' CG1' HD13 ' A' ' 69' ' ' LEU . 32.2 t -112.25 131.97 22.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.73 26.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.562 1.822 . . . . 0.0 110.964 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.8 m -128.34 158.41 71.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -74.99 179.53 6.0 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.496 1.788 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.99 12.99 9.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.444 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 3.9 p-80 -115.66 -3.41 12.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.593 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.419 ' HA ' ' NE2' ' A' ' 46' ' ' GLN . 3.6 t -98.97 108.87 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.421 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 16.4 m -131.15 -41.26 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -82.31 133.74 35.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.63 -34.88 44.35 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -60.23 -15.42 24.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 0.745 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 41' ' ' VAL . 17.4 mt-30 -78.32 -7.31 57.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.466 ' CG2' ' HG ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -140.19 131.28 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m -97.25 144.66 26.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.029 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.579 ' CG2' ' CE3' ' A' ' 85' ' ' TRP . 3.2 t -138.59 115.21 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.84 109.08 18.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.1 mt -109.01 128.45 54.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.457 ' O ' ' CG2' ' A' ' 80' ' ' THR . 4.1 m -124.8 -66.36 0.97 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 26.6 t 173.91 -47.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 74' ' ' LEU . 83.3 p -122.77 31.91 5.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.2 t -158.89 172.65 17.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.99 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.465 ' CD1' HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -165.75 155.18 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.463 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 11.0 ttt180 -143.96 134.38 24.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.465 HG23 ' CD1' ' A' ' 56' ' ' ILE . 88.2 t -138.23 97.51 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -122.68 130.94 53.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.453 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 1.6 ptm -108.08 135.97 48.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.453 ' O ' ' CE ' ' A' ' 60' ' ' MET . 7.6 mt -65.77 138.29 57.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -101.86 -174.2 2.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.19 -18.76 60.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -151.35 48.88 0.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 145.38 -137.24 6.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.22 166.33 27.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.783 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.06 140.14 34.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.3 t -88.18 99.63 9.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 58' ' ' VAL . 34.6 mt -62.59 -60.15 3.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.477 ' HE1' ' CE1' ' A' ' 22' ' ' TYR . 27.5 ttt -131.94 147.81 52.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -177.83 156.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 140.36 157.79 7.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -74.96 127.28 32.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 54' ' ' SER . 5.2 mt -66.94 173.85 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.3 p -83.89 -35.4 24.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.401 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.541 ' CD2' ' HB3' ' A' ' 103' ' ' TYR . 14.6 m-70 -130.54 171.86 12.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.606 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -80.83 173.14 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.407 ' CG2' ' CZ2' ' A' ' 105' ' ' TRP . 2.2 pp -151.85 166.64 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -95.24 80.24 3.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 52' ' ' SER . 29.6 p -42.47 -35.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.23 -51.15 71.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 37.0 m -75.74 -17.85 59.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 m -82.7 143.16 31.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.454 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.8 OUTLIER -138.19 179.26 6.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.579 ' CE3' ' CG2' ' A' ' 49' ' ' VAL . 4.0 p-90 -158.93 120.97 3.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 107.972 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.9 m -119.26 128.47 54.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.037 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.466 ' HG ' ' CG2' ' A' ' 47' ' ' VAL . 0.9 OUTLIER -93.77 144.37 25.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -123.58 135.57 26.28 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.03 121.43 6.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 58.05 55.51 30.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.097 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -157.74 -100.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -164.38 177.64 8.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 108.313 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.9 t -104.55 136.03 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.463 HD23 ' CG ' ' A' ' 34' ' ' ARG . 2.2 tm? -111.08 132.44 54.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 53.4 t -136.98 141.24 41.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.454 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 3.0 m-80 -118.46 113.84 21.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.5 mt -98.06 118.02 33.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.7 142.78 33.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 110.038 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -82.02 137.06 35.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.1 t -119.48 95.1 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.22 -179.99 50.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -85.08 94.47 8.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.541 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 51.6 m-85 -128.86 155.78 44.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 20.0 p90 -103.72 103.39 13.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.498 ' CG ' HD22 ' A' ' 31' ' ' LEU . 34.9 m95 -80.65 86.43 5.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 108.01 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -91.11 5.33 49.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 177.46 133.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.523 HG13 ' CG ' ' A' ' 24' ' ' TRP . 5.5 mm -56.97 -51.96 61.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 68.4 mt -105.82 166.95 10.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.68 156.27 27.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.49 -47.59 3.64 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.517 1.136 . . . . 0.0 111.039 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.31 115.02 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -38.55 151.51 0.18 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 127.21 10.51 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 25.4 pt -48.17 162.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -126.85 54.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 2.1 pp -50.98 178.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -174.12 148.21 1.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.15 153.02 51.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 66.13 175.82 6.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -53.29 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 69.6 p -116.63 115.13 25.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.028 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.2 t 58.79 158.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.969 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -145.8 96.13 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 0.809 . . . . 0.0 109.974 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -121.1 120.39 35.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.6 84.18 0.19 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -159.33 -58.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.766 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 p -88.55 -58.87 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.67 -130.2 9.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -155.49 -59.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.737 . . . . 0.0 110.29 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt 55.81 70.38 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -90.61 135.46 29.2 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 177.68 8.28 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.471 1.774 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.18 -54.75 13.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.9 p -84.29 84.04 7.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.947 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -140.01 -54.85 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.5 155.39 23.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.62 -135.1 14.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.441 1.088 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.513 ' HB2' ' CZ2' ' A' ' 24' ' ' TRP . . . -141.61 134.54 28.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.756 . . . . 0.0 109.236 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.434 ' CG2' HG22 ' A' ' 23' ' ' THR . 1.9 p -154.54 149.83 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.28 -73.24 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -179.33 -37.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.32 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -58.86 -55.18 38.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 31.0 p90 -149.44 129.84 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.434 HG22 ' CG2' ' A' ' 18' ' ' VAL . 1.8 m -87.22 149.81 24.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.565 ' CE3' HD12 ' A' ' 108' ' ' ILE . 21.8 p-90 -155.39 168.62 26.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 108.009 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.8 m -153.44 166.72 31.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.042 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -119.35 122.05 40.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -108.09 178.15 4.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -39.84 -55.78 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.4 71.91 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 169.46 159.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.515 HD21 ' CG ' ' A' ' 105' ' ' TRP . 2.7 mp -123.93 143.19 50.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -132.54 109.12 9.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -122.05 126.69 74.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -118.09 130.02 55.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.455 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 41.1 t -106.0 131.63 21.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 138.38 22.99 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.1 m -122.99 158.75 56.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.264 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.555 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.05 176.93 9.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -84.26 9.45 12.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.555 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 4.4 p-80 -109.57 -3.84 16.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.6 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.0 t -102.01 110.54 29.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.425 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 16.3 m -134.28 -41.17 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -78.68 147.52 33.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.1 0.6 58.47 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.21 -11.04 36.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -94.96 24.94 4.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -155.83 140.37 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.11 130.36 55.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.41 HG22 ' CE3' ' A' ' 85' ' ' TRP . 42.8 t -129.8 138.54 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.26 109.39 10.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.0 mt -107.76 123.6 48.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.468 ' O ' ' CG2' ' A' ' 80' ' ' THR . 3.2 m -124.2 -67.2 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 52' ' ' SER . 79.9 p 176.76 -52.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 74' ' ' LEU . 47.2 p -120.38 27.58 8.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.996 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.82 153.97 40.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.039 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.463 ' CD1' HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -147.54 146.56 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -142.97 130.51 21.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.463 HG23 ' CD1' ' A' ' 56' ' ' ILE . 58.1 t -136.53 113.4 13.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -135.27 162.9 31.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.407 ' HG2' ' CG ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -142.13 135.0 28.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.589 1.181 . . . . 0.0 110.977 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 12.5 mt -69.97 130.76 43.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -97.26 -67.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -166.58 -68.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -89.81 -5.44 56.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -166.06 -134.78 1.73 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.446 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -157.16 177.41 11.52 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 0.737 . . . . 0.0 110.285 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -140.86 137.69 33.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.1 t -90.02 99.17 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.363 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.407 ' CG ' ' HG2' ' A' ' 60' ' ' MET . 29.4 mt -62.66 -55.74 24.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.498 ' HE2' ' CE1' ' A' ' 22' ' ' TYR . 21.0 ttt -134.66 143.46 47.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 10.8 tm-20 -171.51 154.99 3.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.452 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 145.08 151.73 5.48 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -68.85 132.0 46.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.252 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 54' ' ' SER . 13.9 mt -67.73 160.91 27.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.9 p -76.21 -26.35 56.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -141.89 -174.14 4.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.629 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -94.96 163.7 13.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.0 pp -138.61 -175.12 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -110.07 85.74 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 52' ' ' SER . 9.7 p -51.27 -21.1 1.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.384 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -73.54 -51.05 18.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.65 -23.75 45.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.2 m -76.43 143.3 40.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.943 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.446 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.6 OUTLIER -132.3 179.35 6.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.41 ' CE3' HG22 ' A' ' 49' ' ' VAL . 1.1 p-90 -159.8 121.53 3.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 0.0 107.97 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 m -124.2 159.12 30.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -119.73 141.78 49.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.67 135.52 26.26 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.99 123.77 8.14 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.47 1.774 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.37 59.41 9.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.433 1.083 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -159.54 -99.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -164.52 177.67 7.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 108.301 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 44.4 t -104.85 130.87 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.464 ' CD1' ' ND2' ' A' ' 96' ' ' ASN . 2.0 tm? -98.61 138.12 36.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 89.3 t -147.85 128.16 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.464 ' ND2' ' CD1' ' A' ' 94' ' ' LEU . 2.5 m-80 -110.92 130.2 55.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.2 mt -116.82 115.17 25.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.89 140.11 31.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.457 ' CE ' HD13 ' A' ' 31' ' ' LEU . 44.9 mttt -87.89 131.7 34.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.7 m -92.07 40.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 144.12 -179.24 21.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -86.4 94.27 9.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 110.317 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -128.87 155.9 44.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.978 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.425 ' CG ' ' O ' ' A' ' 104' ' ' TRP . 20.8 p90 -103.54 93.06 4.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 107.993 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.515 ' CG ' HD21 ' A' ' 31' ' ' LEU . 18.7 m95 -66.71 86.07 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -61.97 -15.63 45.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -171.28 163.72 7.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.565 HD12 ' CE3' ' A' ' 24' ' ' TRP . 4.6 mm -78.17 -60.04 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.457 HD23 ' CG2' ' A' ' 56' ' ' ILE . 43.0 mt -101.13 171.06 7.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -80.09 -11.01 59.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -83.0 -37.33 12.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.16 112.57 6.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 110.31 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -45.21 161.12 0.24 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 161.29 39.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 13.1 pt -105.27 163.66 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.89 76.38 2.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.5 mm -114.23 151.77 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 51.53 89.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.9 t -175.03 75.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 150.13 175.08 21.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -61.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.511 1.795 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.3 t -42.57 -61.24 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.024 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.71 154.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t 64.68 150.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.017 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 p -90.93 122.13 33.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.046 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.79 -117.91 1.76 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.157 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m 75.46 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 p -95.63 142.59 27.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.45 -160.99 19.74 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.106 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 65.7 149.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 0.75 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -71.61 156.89 38.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.51 151.07 32.57 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -167.53 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.53 1.805 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.63 -62.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.8 m -137.53 136.04 37.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -141.32 132.65 26.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 171.06 -52.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -152.26 -104.22 0.26 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.7 160.74 14.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -148.78 117.03 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.27 160.54 14.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -81.49 -55.23 4.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 69' ' ' LEU . 10.5 t30 -46.68 -58.45 3.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 29.2 p90 -147.31 131.31 17.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.6 m -86.47 159.02 19.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.383 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.542 ' CE3' HD11 ' A' ' 108' ' ' ILE . 3.2 p-90 -162.03 160.84 28.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 107.95 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.448 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 5.4 p -153.93 158.67 41.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -110.63 131.94 54.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -115.85 -179.35 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -39.59 -52.26 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.4 t -154.93 68.9 0.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 167.86 171.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.522 HD21 ' CG ' ' A' ' 105' ' ' TRP . 0.3 OUTLIER -131.44 158.03 41.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -139.01 101.45 4.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.18 116.64 52.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.5 mtm-85 -109.58 124.5 51.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 73.7 t -106.1 131.13 21.99 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.93 135.58 19.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.771 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.5 m -120.21 159.13 48.73 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.56 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.98 176.09 10.37 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -84.31 8.45 16.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.581 ' CD2' HG21 ' A' ' 41' ' ' VAL . 3.3 p-80 -106.6 -4.41 19.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.583 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.581 HG21 ' CD2' ' A' ' 40' ' ' HIS . 37.7 t -104.28 110.84 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.8 m -136.77 15.66 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -139.67 158.94 43.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.15 -22.96 46.55 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 ptmm? -72.11 -16.54 62.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 0.793 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 61' ' ' LEU . 5.8 mt-30 -81.51 -16.43 51.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.44 152.08 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.21 124.89 53.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.517 HG22 ' CE3' ' A' ' 85' ' ' TRP . 70.0 t -121.17 106.62 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.27 114.48 28.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.2 mt -118.27 140.37 49.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.488 ' O ' ' CG2' ' A' ' 80' ' ' THR . 27.9 m -132.4 -65.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.011 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 76.8 p 176.69 -51.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.039 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.0 p -117.1 33.12 5.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.0 t -162.94 174.84 11.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.467 ' CD1' HG22 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -165.1 154.42 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.423 ' N ' HD12 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -135.95 133.45 37.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.467 HG22 ' CD1' ' A' ' 56' ' ' ILE . 63.4 t -138.24 108.54 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -135.15 156.62 48.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.467 ' HE1' ' CE1' ' A' ' 40' ' ' HIS . 0.9 OUTLIER -137.14 141.38 42.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.509 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 7.4 mt -65.55 130.0 41.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.28 -172.87 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.54 -0.06 56.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 64' ' ' ASN . 11.5 p-10 -158.15 57.01 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.7 121.22 2.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.509 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 2.3 pm0 -44.0 165.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -132.99 136.17 45.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.408 HG22 ' NH1' ' A' ' 57' ' ' ARG . 71.5 t -82.53 99.94 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.453 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 30.5 mt -65.14 -50.73 64.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.407 ' O ' ' N ' ' A' ' 58' ' ' VAL . 19.0 ttt -139.91 139.66 36.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.451 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 12.3 tm-20 -172.44 148.92 2.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 0.0 110.33 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.451 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 147.54 155.39 6.57 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.03 136.09 56.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 0.794 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.9 mt -76.66 175.83 8.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.5 p -81.32 -40.95 22.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -130.34 -178.38 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.616 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -89.36 168.15 12.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.422 HD13 ' N ' ' A' ' 80' ' ' THR . 2.0 pp -145.75 -178.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -111.18 77.03 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 52' ' ' SER . 68.2 p -38.03 -47.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -54.25 -51.78 63.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -22.77 61.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.08 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.7 m -78.3 164.51 24.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.94 179.45 7.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.517 ' CE3' HG22 ' A' ' 49' ' ' VAL . 3.0 p-90 -163.51 121.65 1.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 108.024 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -114.68 152.83 31.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.401 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -117.34 146.36 43.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.352 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -127.46 135.78 27.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 120.62 6.16 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 57.03 46.77 91.11 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.528 1.143 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -145.31 -99.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -163.54 176.85 9.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 108.331 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 35' ' ' VAL . 98.6 t -106.53 134.43 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.409 ' C ' ' CD1' ' A' ' 94' ' ' LEU . 1.0 OUTLIER -104.07 128.5 51.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 61.0 t -130.67 105.39 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -89.82 122.71 33.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.1 mt -107.36 125.74 51.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -103.0 105.54 15.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -60.06 143.53 51.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.4 m -90.06 45.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 136.64 172.4 12.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 111.047 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -69.67 94.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -129.08 156.0 44.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.41 ' O ' ' CG ' ' A' ' 104' ' ' TRP . 12.9 p90 -109.48 108.07 18.42 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.522 ' CG ' HD21 ' A' ' 31' ' ' LEU . 9.1 m95 -84.8 90.6 7.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 108.01 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -61.83 -14.73 36.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -169.43 163.46 10.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.542 HD11 ' CE3' ' A' ' 24' ' ' TRP . 10.8 mm -80.25 -60.46 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.0 mt -101.08 168.17 9.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -75.46 151.99 37.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 112' ' ' GLU . . . 88.15 -50.08 3.84 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 111' ' ' GLY . 0.5 OUTLIER -38.8 116.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 110.312 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 112' ' ' GLU . 40.7 mt-10 -39.0 145.57 0.37 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.248 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 129.42 12.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 34.2 pt -51.56 -179.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.83 -60.84 1.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 118' ' ' ASP . 19.7 mt -82.04 148.34 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.42 ' N ' HG22 ' A' ' 117' ' ' ILE . 19.1 t0 177.4 167.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 99.6 p -58.39 -58.18 9.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.52 -152.11 38.94 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 71.71 4.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.466 1.772 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.34 -57.3 2.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 18.9 p -157.2 98.22 1.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.035 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 t -166.65 -58.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.97 140.03 24.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.975 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.48 -170.02 12.96 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 m 56.08 104.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 109.957 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -81.63 156.85 24.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.04 120.13 1.3 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -162.64 133.02 4.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 110.328 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.39 162.18 14.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -177.98 148.95 0.68 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -43.42 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -159.35 -52.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.3 p -150.07 106.48 3.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.042 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -155.19 100.09 2.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -173.59 -57.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -131.79 -144.92 5.46 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.01 116.68 14.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 0.781 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.3 m -95.73 -173.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.04 152.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.34 -37.09 80.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -55.13 -62.49 1.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 42.4 p90 -161.86 127.46 3.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 p -86.49 151.78 23.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CE3' HD11 ' A' ' 108' ' ' ILE . 10.9 p-90 -158.36 168.94 25.62 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.4 m -153.78 153.15 31.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.031 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.401 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 36.0 tt0 -108.3 129.33 55.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -132.74 178.63 6.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.422 ' O ' ' CG2' ' A' ' 29' ' ' THR . 1.0 OUTLIER -95.12 44.82 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.422 ' CG2' ' O ' ' A' ' 28' ' ' TYR . 37.7 p -154.19 -56.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.367 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -164.22 171.03 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mp -96.17 130.96 43.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.54 117.72 31.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -128.02 132.88 68.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -125.95 134.06 51.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.432 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 38.7 t -111.98 135.45 21.26 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 140.46 25.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.1 m -126.92 158.66 67.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.415 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.94 177.28 8.77 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.468 1.772 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt -86.26 13.0 8.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.449 ' O ' ' NE2' ' A' ' 46' ' ' GLN . 3.5 p-80 -114.42 -3.0 13.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.626 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.433 HG21 ' CD2' ' A' ' 40' ' ' HIS . 21.1 t -103.26 112.38 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.427 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 18.9 m -131.37 -41.63 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.18 154.1 33.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.74 -16.8 76.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.65 -15.38 59.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 40' ' ' HIS . 7.0 mt-30 -79.43 -3.34 46.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.93 148.03 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.5 m -111.51 140.86 45.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.557 HG13 ' CD1' ' A' ' 85' ' ' TRP . 74.6 t -137.7 127.54 36.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -132.22 123.66 27.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.7 mt -123.18 134.79 54.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.468 ' O ' ' CG2' ' A' ' 80' ' ' THR . 16.0 m -126.59 -64.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.6 p 176.54 -53.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.17 33.93 5.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.5 t -163.52 174.14 12.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.55 ' CD1' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -165.08 157.15 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.55 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 2.2 ttt180 -138.43 127.56 24.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.51 ' CG2' ' CD1' ' A' ' 56' ' ' ILE . 47.2 t -134.66 133.78 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -158.85 158.59 33.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.497 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -139.82 142.13 36.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.497 ' O ' ' CE ' ' A' ' 60' ' ' MET . 12.3 mt -74.7 128.62 36.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -93.07 -75.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.097 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.9 -68.12 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -89.11 -7.27 56.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -164.26 -134.75 1.7 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.468 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -154.94 -179.92 8.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.322 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -146.21 142.64 28.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.4 t -92.43 97.73 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.408 ' CB ' HG11 ' A' ' 35' ' ' VAL . 51.1 mt -60.36 -52.6 64.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 20.4 ttt -138.21 145.26 41.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.453 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 10.4 tm-20 -177.98 154.43 0.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.453 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 139.39 160.81 8.49 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -71.5 136.19 47.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.0 mt -74.17 176.65 6.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.2 p -85.8 -30.87 22.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.483 ' NE2' ' CD1' ' A' ' 103' ' ' TYR . 1.6 m80 -139.54 -170.47 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.592 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -93.59 172.94 7.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.441 ' C ' ' CG2' ' A' ' 100' ' ' VAL . 2.3 pp -151.55 179.83 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 83' ' ' SER . 6.7 t-20 -108.54 81.11 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 52' ' ' SER . 69.5 p -46.06 -43.33 14.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -55.74 -51.7 66.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.33 -22.37 59.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 79' ' ' ASN . 17.1 m -73.56 162.03 29.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.98 179.34 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.557 ' CD1' HG13 ' A' ' 49' ' ' VAL . 3.5 p-90 -164.59 129.37 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 107.968 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.5 m -125.15 139.37 53.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.407 HD21 ' N ' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -103.07 140.07 37.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.407 ' N ' HD21 ' A' ' 87' ' ' LEU . 1.5 mt-10 -119.66 133.89 23.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.0 122.0 6.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 58.99 49.49 77.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.056 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.03 -97.71 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -163.35 176.86 9.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 108.326 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 50.0 t -103.6 131.51 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -99.76 129.02 45.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 78.1 t -136.33 113.23 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -99.99 120.91 40.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.2 mt -109.24 125.03 51.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.2 t -81.15 157.94 25.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -98.08 130.54 44.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.246 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.441 ' CG2' ' C ' ' A' ' 78' ' ' ILE . 3.3 t -110.48 99.82 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 69.98 154.22 1.04 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.7 93.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.483 ' CD1' ' NE2' ' A' ' 76' ' ' HIS . 18.5 m-85 -129.78 155.9 45.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.546 ' CD1' ' ND2' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -79.24 154.39 29.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 108.031 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.498 ' O ' ' CZ2' ' A' ' 104' ' ' TRP . 9.2 m95 -135.32 -73.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 108.037 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.546 ' ND2' ' CD1' ' A' ' 104' ' ' TRP . 2.0 m-80 50.55 22.75 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 106' ' ' ASN . . . 165.18 142.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.567 HD11 ' CE3' ' A' ' 24' ' ' TRP . 2.8 mm -77.17 -59.26 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.5 mt -96.45 164.22 12.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.51 155.71 38.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.74 -48.2 3.84 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.74 113.46 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 0.767 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.17 149.08 0.25 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 131.22 14.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.467 1.772 . . . . 0.0 111.024 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 7.5 pt -55.19 -170.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 117' ' ' ILE . 22.4 t0 178.15 125.0 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.407 ' O ' ' O ' ' A' ' 116' ' ' ASP . 0.7 OUTLIER 49.7 -179.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 59.46 101.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 42.6 t -174.92 103.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.038 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 115.7 -168.4 12.64 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.143 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 69.93 5.47 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.479 1.778 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.0 p -93.97 138.34 32.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.7 t -81.12 148.79 29.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.5 p -160.39 86.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 62.08 96.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.966 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.35 -172.04 34.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -122.48 143.5 49.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.994 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.3 t -161.69 94.79 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.07 110.31 1.19 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -83.42 126.47 32.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 0.723 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -77.35 -59.44 2.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -149.39 151.48 33.68 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 177.12 9.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.452 1.764 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -48.44 -45.42 36.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 85.4 p -83.11 118.02 23.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.005 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -70.57 -50.45 37.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -84.37 -56.79 3.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.38 84.57 0.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 174.3 125.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.785 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.446 ' CG2' ' N ' ' A' ' 19' ' ' ARG . 0.7 OUTLIER -163.89 161.0 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.498 ' HG2' ' CZ ' ' A' ' 22' ' ' TYR . 27.8 tpt85 -92.14 -71.18 0.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 21' ' ' ASN . 1.5 pt-20 176.73 -34.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.446 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -114.57 -33.92 5.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.599 ' CD2' ' SD ' ' A' ' 70' ' ' MET . 41.0 p90 -124.8 132.28 53.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 m -87.24 149.78 24.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.56 ' CE3' HD11 ' A' ' 108' ' ' ILE . 23.7 p-90 -155.64 169.41 24.39 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 p -153.63 150.23 28.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.952 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -108.65 120.98 44.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -131.91 169.97 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.4 ' C ' ' CG2' ' A' ' 29' ' ' THR . 32.4 m-85 -87.67 45.92 1.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.4 ' CG2' ' C ' ' A' ' 28' ' ' TYR . 58.2 p -151.77 -50.21 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.374 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.3 p30 -172.69 177.39 2.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.507 HD23 ' CD2' ' A' ' 105' ' ' TRP . 3.2 mp -105.28 123.84 48.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -110.38 111.13 22.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.87 124.66 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.427 ' HB2' ' NH1' ' A' ' 34' ' ' ARG . 8.4 mtm105 -118.19 134.25 55.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.428 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 57.5 t -111.11 133.49 21.3 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.01 139.96 24.85 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.55 1.816 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.7 m -125.05 158.55 62.83 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.537 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -74.98 177.65 8.3 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.527 1.804 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -86.14 12.09 10.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.537 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 6.9 p-80 -113.5 -3.0 13.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.621 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.5 t -104.21 112.44 37.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.414 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 18.6 m -132.22 -41.8 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -77.81 148.38 34.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.5 -11.29 85.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.82 -13.2 57.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.763 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -86.06 3.96 40.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.62 143.8 31.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.63 129.4 56.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.567 HG23 ' CE3' ' A' ' 85' ' ' TRP . 91.0 t -132.27 119.1 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -115.73 123.72 49.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 66.6 mt -125.81 132.78 52.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.411 ' O ' ' CG2' ' A' ' 80' ' ' THR . 58.4 m -133.67 -57.89 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.032 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 52' ' ' SER . 26.0 t 173.76 -51.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.934 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.1 p -123.17 39.11 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.99 146.06 12.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.525 ' CD1' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -144.66 151.37 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.525 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 3.5 ttt180 -142.08 136.24 29.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.48 HG21 ' CD1' ' A' ' 56' ' ' ILE . 15.0 t -140.65 100.57 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -125.16 158.34 34.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.404 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -138.06 143.75 40.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 12.9 mt -77.67 129.71 35.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -93.63 -71.86 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.21 -67.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.279 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -90.49 -7.7 52.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -162.98 -134.88 1.72 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -156.57 -177.45 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 0.799 . . . . 0.0 110.269 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -149.52 139.38 21.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.403 ' CG1' ' HB2' ' A' ' 71' ' ' GLU . 74.1 t -89.29 97.16 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.8 mt -59.5 -59.23 5.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.599 ' SD ' ' CD2' ' A' ' 22' ' ' TYR . 18.5 ttt -133.08 131.79 40.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 9.2 tm-20 -161.33 153.06 19.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 149.22 150.34 5.2 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 110.95 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.87 126.05 28.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.744 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.99 158.11 14.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.4 p -72.19 -37.0 69.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -133.49 -174.68 3.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.596 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -90.41 171.86 9.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.425 ' CD1' HG22 ' A' ' 80' ' ' THR . 1.8 pp -146.67 -171.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -114.35 74.83 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.425 HG22 ' CD1' ' A' ' 78' ' ' ILE . 82.8 p -40.64 -38.64 0.92 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.435 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -58.51 -50.85 72.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.5 m -77.24 -22.75 51.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.9 m -74.81 159.04 32.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.4 179.45 8.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.567 ' CE3' HG23 ' A' ' 49' ' ' VAL . 3.7 p-90 -164.4 127.22 2.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 107.996 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.1 p -125.45 139.42 53.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -101.25 139.9 36.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -119.23 133.4 23.74 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.03 124.75 8.84 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.02 45.88 85.92 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.08 -101.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -160.93 177.0 10.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 108.324 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 61.3 t -101.25 134.72 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -102.36 132.58 48.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 93.4 t -139.08 124.99 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -112.56 127.12 55.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.2 mt -115.63 118.65 33.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.12 111.49 23.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.559 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 21.8 mttt -58.06 142.42 46.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 18.5 m -88.75 44.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 128.23 175.23 14.0 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.4 94.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -128.51 155.87 44.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 16.6 t-105 -104.61 118.35 36.37 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.559 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 13.8 m95 -98.97 125.29 44.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 108.042 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -109.33 -1.59 18.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.447 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . . . -175.56 161.66 2.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.56 HD11 ' CE3' ' A' ' 24' ' ' TRP . 8.6 mm -85.96 -45.51 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.6 mt -113.28 162.1 16.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -71.53 -14.84 62.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -77.89 -39.56 23.96 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -71.04 105.91 3.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.773 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -41.26 156.41 0.21 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 112.45 3.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 41.3 pt -46.58 158.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.08 94.18 4.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 2.0 pp -74.62 -3.67 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.1 t70 52.85 98.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.4 t -56.06 95.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -153.79 165.24 31.51 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.51 1.132 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 102.54 1.6 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.79 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.4 m 56.17 170.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 67.2 m -119.21 151.65 38.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.94 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.57 161.48 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 110.009 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 p -160.15 115.21 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.98 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.21 165.45 14.62 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.444 1.09 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.2 m -112.4 -58.81 2.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 0.735 . . . . 0.0 110.051 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 p 45.09 79.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.86 -149.72 21.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -123.7 -59.91 1.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -129.49 117.9 21.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -124.28 147.42 54.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 173.71 14.03 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.49 1.784 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.69 -52.25 9.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.07 147.73 45.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -54.09 158.28 2.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -40.56 110.32 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -171.28 -119.75 0.52 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.32 110.31 4.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.747 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.3 m -100.28 -172.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -177.28 147.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -68.86 -26.13 64.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -72.94 -53.92 10.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 25.9 p90 -165.22 131.96 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 m -86.92 148.99 25.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 110.45 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.517 ' CG ' HG13 ' A' ' 108' ' ' ILE . 16.1 p-90 -159.78 162.34 34.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 107.963 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 82.0 p -152.58 175.97 12.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -136.72 111.99 9.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -131.2 141.49 50.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 57.44 -83.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.7 t -167.08 53.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.42 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -154.0 164.86 37.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.56 HD21 ' CE3' ' A' ' 105' ' ' TRP . 1.8 mp -123.94 110.87 15.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.57 109.22 21.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.37 132.42 67.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.448 ' CG ' HD22 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -120.82 133.06 55.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.422 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 44.1 t -111.35 129.24 24.27 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 137.88 22.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.1 m -123.66 158.59 58.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.563 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -74.94 176.84 9.36 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.782 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -86.27 13.38 8.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.563 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 6.3 p-80 -113.73 -3.9 13.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.576 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.402 HG21 ' CD2' ' A' ' 40' ' ' HIS . 38.1 t -103.8 110.59 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.433 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 15.7 m -128.62 -40.7 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -79.23 156.13 28.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.8 -26.01 57.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -10.77 60.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -86.21 -2.29 58.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.53 134.01 38.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.6 124.23 41.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.574 HG21 ' CH2' ' A' ' 85' ' ' TRP . 77.1 t -127.32 116.21 43.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -114.86 108.22 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.6 mt -93.71 126.62 38.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.76 148.52 47.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 78' ' ' ILE . 1.6 m -51.22 -29.37 14.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.4 ' C ' ' OG ' ' A' ' 55' ' ' SER . 3.1 p -149.73 61.19 1.0 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.057 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.4 ' OG ' ' C ' ' A' ' 54' ' ' SER . 0.0 OUTLIER 168.63 138.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.536 ' CD1' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -135.84 148.91 27.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.536 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 0.9 OUTLIER -136.74 129.37 30.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 70' ' ' MET . 88.1 t -132.68 133.16 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -159.36 149.85 19.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.475 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -128.14 132.32 48.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.475 ' O ' ' CE ' ' A' ' 60' ' ' MET . 7.9 mt -62.52 138.09 58.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -107.16 -174.64 2.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -68.34 -33.92 75.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -135.94 57.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.75 -135.03 7.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.01 178.94 9.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.65 143.41 25.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.3 t -94.41 98.49 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.173 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.1 mt -62.88 -53.55 52.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.562 ' HE3' ' CE1' ' A' ' 22' ' ' TYR . 24.7 ttt -137.93 154.33 49.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.419 ' CG ' ' N ' ' A' ' 72' ' ' GLY . 45.3 tt0 170.68 154.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.419 ' N ' ' CG ' ' A' ' 71' ' ' GLU . . . 147.54 159.52 8.42 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.16 121.01 22.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.9 mt -57.94 164.45 2.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.4 p -73.27 -47.19 45.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -127.87 174.72 8.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.608 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -70.37 169.01 14.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.441 ' CD1' HG23 ' A' ' 80' ' ' THR . 2.0 pp -145.88 -166.84 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -120.35 89.27 3.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.441 HG23 ' CD1' ' A' ' 78' ' ' ILE . 38.7 p -62.32 -24.36 67.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -70.48 -52.52 21.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.8 m -74.81 -30.69 61.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.7 m -64.22 160.9 17.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.13 . . . . 0.0 109.966 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 1.1 pp -151.95 179.35 8.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.574 ' CH2' HG21 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -164.57 123.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.2 m -124.43 129.06 49.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 110.006 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 1.0 OUTLIER -90.0 140.65 29.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -121.08 134.16 24.33 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.98 122.87 7.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.32 55.14 31.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.23 -100.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.2 p -164.51 177.43 8.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 108.241 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 35' ' ' VAL . 72.5 t -103.86 129.89 55.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.448 HD22 ' CG ' ' A' ' 34' ' ' ARG . 1.6 tm? -103.53 129.98 50.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.422 ' N ' HD12 ' A' ' 94' ' ' LEU . 76.7 t -135.98 144.92 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.472 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 3.4 m-80 -125.53 129.59 50.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 22.4 mt -121.32 122.93 40.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.52 99.06 10.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.563 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 8.8 ptpt -62.54 93.58 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 18.1 m -44.73 145.2 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 56.9 -151.61 25.48 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.75 93.75 4.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' A' ' 103' ' ' TYR . 8.4 m-85 -129.27 144.15 51.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.603 ' O ' ' CE3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -73.93 128.88 36.68 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.563 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 17.0 m95 -112.25 87.73 2.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 107.993 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -95.16 23.76 5.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 171.49 138.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.517 HG13 ' CG ' ' A' ' 24' ' ' TRP . 5.2 mm -72.18 -54.15 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.9 mt -102.39 163.66 12.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -15.61 59.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 110.324 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -75.64 -25.06 68.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.133 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -89.96 118.82 29.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -52.65 165.39 0.55 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 107.71 2.55 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 14.2 pt -44.66 167.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.07 -32.67 6.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 1.8 mp -64.04 120.47 10.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.7 t0 57.47 94.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 75.0 m -72.53 -60.38 2.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -141.7 157.52 26.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -53.94 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 30.9 t 63.37 83.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.046 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.1 m -129.35 -58.21 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.438 1.086 . . . . 0.0 111.043 -179.947 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t 65.58 147.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.768 . . . . 0.0 109.991 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 m -46.26 158.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.55 69.72 1.34 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.559 1.162 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -148.51 105.81 3.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 0.0 110.006 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 p -91.8 111.77 23.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.052 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.53 62.1 2.99 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -95.07 109.51 21.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.766 . . . . 0.0 110.334 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.52 -52.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -51.9 139.19 32.8 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.49 ' O ' ' CB ' ' A' ' 12' ' ' ASP . 18.3 Cg_endo -74.98 -1.39 11.16 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 11' ' ' PRO . 5.7 t0 80.66 122.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 p -172.32 84.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.953 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -95.99 57.39 1.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -177.52 171.11 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.44 42.54 1.93 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -175.79 110.0 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.3 m -118.61 163.6 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.153 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.01 14.43 2.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 66.04 -78.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 69' ' ' LEU . 44.3 t30 -44.14 -50.96 8.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 30.2 p90 -154.45 130.48 10.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -87.09 154.77 20.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.42 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.487 ' CG ' HG13 ' A' ' 108' ' ' ILE . 16.3 p-90 -161.18 163.84 30.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 108.025 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.8 p -152.76 177.14 11.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -142.56 119.77 11.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -133.63 132.67 41.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.242 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 65.16 -70.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.7 OUTLIER -179.19 59.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.436 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -151.99 170.23 20.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mp -133.17 101.11 5.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.79 109.59 21.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.91 125.39 70.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -111.08 129.74 55.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.431 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 10.2 t -110.92 133.03 21.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -74.98 139.61 24.53 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.466 1.772 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.2 m -123.69 159.11 57.15 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.594 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.1 Cg_endo -75.07 176.54 9.79 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.481 1.779 . . . . 0.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -84.95 9.61 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.594 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 4.8 p-80 -108.98 -3.78 17.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.551 HG21 ' CD2' ' A' ' 40' ' ' HIS . 25.8 t -103.23 111.4 32.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.4 m -137.29 13.7 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -137.63 159.78 41.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -80.12 -34.27 30.36 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.561 1.163 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.5 -17.04 63.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.759 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -80.49 -11.85 59.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.95 131.33 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.43 120.54 33.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.572 HG23 ' CZ3' ' A' ' 85' ' ' TRP . 39.4 t -125.11 114.83 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -114.22 109.17 17.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.2 mt -92.07 121.12 33.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.16 148.5 50.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.993 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -51.34 -28.69 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.992 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.3 p -150.21 58.35 0.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 170.59 138.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.527 ' CD1' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -135.63 148.98 28.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.527 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 27.6 ttt180 -134.26 133.4 40.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.322 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.472 ' CG2' ' CD1' ' A' ' 56' ' ' ILE . 22.2 t -134.68 122.56 39.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -148.46 158.6 44.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.255 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.506 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -137.17 145.02 43.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.506 ' O ' ' CE ' ' A' ' 60' ' ' MET . 16.6 mt -78.04 128.77 34.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -93.09 -72.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -162.66 -67.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -87.7 -6.73 58.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -166.49 -133.94 1.61 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.469 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -156.04 175.13 14.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.737 . . . . 0.0 110.304 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -141.39 136.87 31.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.421 ' CG1' ' HB2' ' A' ' 71' ' ' GLU . 69.7 t -88.06 99.18 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.447 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 38.3 mt -61.51 -59.92 4.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.502 ' HE1' ' CE1' ' A' ' 22' ' ' TYR . 13.4 ttt -127.57 145.97 50.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.458 ' CG ' ' HA ' ' A' ' 57' ' ' ARG . 1.4 tt0 -173.09 155.01 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 145.64 150.4 5.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -72.59 119.06 16.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 0.777 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.1 mt -48.59 170.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.4 p -86.89 -40.08 15.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.498 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 4.9 m-70 -125.86 174.33 8.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -80.08 156.66 26.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.47 ' CD1' HG22 ' A' ' 80' ' ' THR . 1.9 pp -134.54 -172.74 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -119.17 88.42 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.47 HG22 ' CD1' ' A' ' 78' ' ' ILE . 68.0 p -58.12 -16.61 13.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.404 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -76.47 -44.72 34.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.81 -18.45 27.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.049 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.3 m -74.37 160.09 31.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.985 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.3 OUTLIER -155.21 179.52 9.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.572 ' CZ3' HG23 ' A' ' 49' ' ' VAL . 2.6 p-90 -162.26 137.06 6.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.01 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.1 m -127.4 153.7 45.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.992 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.46 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 0.6 OUTLIER -116.28 146.48 42.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -127.23 135.48 27.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 119.18 5.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 58.27 49.33 77.01 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -149.13 -99.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.2 p -163.75 173.64 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.313 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 75.7 t -99.78 143.46 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -111.12 132.19 54.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 74.4 t -134.78 128.41 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -113.2 126.96 56.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 21.4 mt -120.58 119.31 32.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.94 117.82 33.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.513 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 24.3 mttt -61.65 141.84 57.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 24.6 m -94.51 45.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.02 -141.92 13.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -125.11 94.62 4.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -127.72 155.65 43.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -81.71 115.57 21.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 107.979 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.513 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 10.7 m95 -99.27 -70.25 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 107.969 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.503 ' OD1' ' CB ' ' A' ' 114' ' ' PRO . 0.6 OUTLIER 79.56 -54.59 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -124.62 160.23 28.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.487 HG13 ' CG ' ' A' ' 24' ' ' TRP . 6.2 mm -77.05 -54.21 13.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 30.1 mt -107.3 169.78 8.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -76.7 156.69 32.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 88.13 -56.15 4.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -40.67 115.55 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.77 . . . . 0.0 110.334 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -38.42 148.62 0.23 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.503 ' CB ' ' OD1' ' A' ' 106' ' ' ASN . 18.3 Cg_endo -74.98 131.97 14.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.54 1.811 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.447 ' N ' ' OD1' ' A' ' 106' ' ' ASN . 39.3 pt -58.27 157.38 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.84 73.65 4.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 6.2 mm -116.81 133.68 62.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -132.42 136.05 46.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.71 154.64 40.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -162.55 -145.38 4.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -42.44 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.49 1.784 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.69 -57.55 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.0 t 54.08 103.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -131.08 91.78 3.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.752 . . . . 0.0 109.989 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t 66.51 153.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.35 124.24 8.17 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.22 102.96 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 0.744 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -133.69 159.69 39.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.9 110.43 3.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -97.56 -66.62 0.89 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 0.777 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.17 70.78 0.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 177.58 122.8 0.18 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -54.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.527 1.804 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 179.06 164.16 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.8 p 40.11 82.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -133.77 -61.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -116.97 126.2 52.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 52.44 173.99 0.04 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.417 1.073 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.57 ' O ' ' CG1' ' A' ' 18' ' ' VAL . . . 67.5 174.83 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 0.796 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.57 ' CG1' ' O ' ' A' ' 17' ' ' ALA . 10.6 p 50.35 173.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.74 -177.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.94 74.57 9.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 175.91 -59.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 31.0 p90 -153.64 133.06 12.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.103 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.456 ' CG2' ' CG2' ' A' ' 18' ' ' VAL . 20.8 m -86.41 154.75 20.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.516 ' CG ' HG13 ' A' ' 108' ' ' ILE . 5.2 p-90 -159.26 161.9 36.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.0 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.0 m -150.84 158.25 43.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.967 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -112.24 126.69 55.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.365 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -113.81 176.32 5.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -37.3 -59.27 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -148.15 66.8 1.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.43 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.414 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 0.7 OUTLIER 172.47 167.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.522 HD21 ' CG ' ' A' ' 105' ' ' TRP . 0.7 OUTLIER -133.42 158.55 42.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -144.15 106.34 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.41 122.54 68.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.31 132.21 54.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 93' ' ' VAL . 3.4 t -113.27 127.51 26.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 136.59 20.59 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.9 m -120.41 158.51 50.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.546 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.1 Cg_endo -75.06 177.39 8.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 110.963 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.71 12.61 8.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.546 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 8.2 p-80 -114.7 -2.86 12.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.473 1.108 . . . . 0.0 109.61 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.4 t -103.89 111.06 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 15.5 m -130.78 -41.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.64 152.09 28.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.61 -7.74 87.78 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.448 1.093 . . . . 0.0 111.045 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -83.04 -13.45 55.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 0.769 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 61' ' ' LEU . 3.2 mt-30 -83.49 -21.9 32.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.79 149.57 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.08 134.13 55.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.455 HG23 ' CE3' ' A' ' 85' ' ' TRP . 55.6 t -133.16 130.83 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -126.94 123.42 37.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.8 mt -122.88 121.83 37.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.499 ' O ' ' CG2' ' A' ' 80' ' ' THR . 1.9 m -123.64 -65.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 52' ' ' SER . 93.1 p 177.64 -50.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.97 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.05 33.74 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.966 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.4 151.62 30.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.493 ' CD1' HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -150.6 148.09 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.417 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 2.7 ttt180 -143.81 133.72 24.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.493 HG23 ' CD1' ' A' ' 56' ' ' ILE . 43.1 t -137.08 107.38 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.47 159.36 35.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.464 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -139.93 144.96 37.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.464 ' O ' ' CE ' ' A' ' 60' ' ' MET . 8.2 mt -74.58 129.2 37.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -96.51 -62.53 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -168.38 -78.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.56 -11.77 59.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -157.05 -133.4 1.6 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.462 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 1.3 pm0 -156.94 175.91 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -138.45 147.15 42.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 79.8 t -97.88 97.18 5.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.8 mt -59.79 -59.24 5.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.513 ' SD ' ' CG ' ' A' ' 22' ' ' TYR . 24.5 ttt -131.41 144.66 51.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 111.051 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.448 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 12.6 tm-20 -172.51 151.95 2.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.448 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 151.09 153.34 6.13 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.115 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -74.68 114.48 13.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.4 mt -47.11 170.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.1 p -85.26 -38.77 18.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -131.2 173.86 10.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.618 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -82.08 161.89 22.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.9 pp -138.03 -171.24 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 80' ' ' THR . 16.5 t-20 -116.96 78.08 1.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 52' ' ' SER . 49.0 p -37.35 -43.48 0.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -53.65 -54.39 38.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.9 -31.19 67.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.9 m -71.94 136.45 46.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.3 OUTLIER -122.58 178.96 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.475 ' CZ3' ' HB2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -164.87 122.44 1.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 108.044 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.7 m -129.71 130.82 45.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.475 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 0.7 OUTLIER -90.65 141.52 28.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.441 ' N ' ' CD2' ' A' ' 87' ' ' LEU . 4.8 mt-10 -119.48 133.63 23.8 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.0 126.79 10.2 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.445 1.761 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 52.81 42.56 59.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -142.14 -104.59 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.4 p -164.08 177.03 8.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 108.278 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 35' ' ' VAL . 79.0 t -99.06 145.0 11.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.413 HD11 ' N ' ' A' ' 95' ' ' VAL . 1.4 tm? -125.8 127.99 46.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.413 ' N ' HD11 ' A' ' 94' ' ' LEU . 74.4 t -136.36 140.84 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.474 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 1.8 m-80 -117.1 123.69 47.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.4 mt -105.77 113.88 27.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.42 101.8 14.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.468 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 12.6 mttt -55.47 140.33 40.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 26.1 m -89.93 43.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 141.81 169.54 12.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -71.42 94.2 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -128.89 156.16 44.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.463 ' CG ' ' O ' ' A' ' 104' ' ' TRP . 17.4 p90 -105.46 93.41 4.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 107.999 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.522 ' CG ' HD21 ' A' ' 31' ' ' LEU . 9.4 m95 -69.52 88.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -55.8 -20.6 15.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.446 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . . . -161.49 -175.91 5.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.516 HG13 ' CG ' ' A' ' 24' ' ' TRP . 6.9 mm -97.18 -47.67 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 59.4 mt -109.21 174.02 6.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -81.5 -18.17 46.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -103.74 48.14 1.04 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -133.74 170.77 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 110.28 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -88.58 144.37 33.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.345 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -175.3 2.29 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.506 1.793 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.4 pt -132.11 -174.69 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -165.25 115.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 5.9 mm -46.62 128.25 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -112.2 -45.41 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 53.9 p -72.14 124.33 24.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.019 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -168.55 -145.01 4.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 141.1 26.19 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 18.3 m -60.06 93.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.955 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.1 m -145.57 110.81 5.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.028 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 110.942 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.5 m 62.19 108.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 110.015 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.02 -58.49 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.045 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.74 -137.61 7.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.113 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.93 129.9 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 0.765 . . . . 0.0 109.97 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 m -82.64 160.11 22.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.28 89.92 0.19 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.558 1.161 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -157.13 87.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt 64.9 163.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -82.42 139.57 44.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 175.59 11.04 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.513 1.797 . . . . 0.0 111.027 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.32 -54.01 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.1 p -93.72 -64.34 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.0 t80 46.0 90.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.8 m120 59.8 166.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.45 131.24 3.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.22 121.61 7.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.2 m -97.17 -172.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.44 153.65 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -76.04 -10.9 59.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.478 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 7.9 t30 -91.4 -53.58 4.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.478 ' CD2' ' HB3' ' A' ' 21' ' ' ASN . 30.7 p90 -157.32 135.36 10.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -86.43 142.83 28.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CZ2' ' HA ' ' A' ' 107' ' ' ALA . 19.0 p-90 -152.9 160.07 43.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 108.035 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.1 m -147.9 162.55 39.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -118.81 130.98 56.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -117.42 179.5 4.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -39.72 -59.0 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 111.05 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.8 t -151.05 75.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.377 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 165.97 142.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mp -113.9 152.6 30.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -148.74 118.05 6.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.342 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -123.63 130.93 73.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.472 ' CZ ' HD21 ' A' ' 94' ' ' LEU . 36.9 mtt85 -114.62 131.71 56.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.411 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 56.8 t -113.21 131.68 22.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.03 141.53 26.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.956 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.4 m -126.52 158.43 67.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.498 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.06 177.08 9.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -84.78 10.05 12.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.498 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 4.1 p-80 -111.14 -3.21 15.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.605 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.477 HG23 ' CD2' ' A' ' 40' ' ' HIS . 13.5 t -102.83 111.25 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.405 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . 22.2 m -133.47 -41.88 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -84.02 127.84 34.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -50.41 -29.56 17.09 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -13.09 43.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -80.31 -14.26 58.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.245 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.43 156.37 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -118.11 139.91 50.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.539 HG23 ' CE3' ' A' ' 85' ' ' TRP . 39.6 t -137.3 135.54 47.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -132.8 124.26 27.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.0 mt -123.72 117.26 24.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.491 ' O ' ' CG2' ' A' ' 80' ' ' THR . 0.1 OUTLIER -121.07 -64.09 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' ' 52' ' ' SER . 79.8 p 176.48 -52.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.033 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.84 36.15 4.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.4 147.33 20.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.546 ' CD1' ' CG2' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -142.98 150.83 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.521 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 1.1 ttt180 -139.69 131.71 27.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.546 ' CG2' ' CD1' ' A' ' 56' ' ' ILE . 10.7 t -140.9 104.77 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.44 157.66 42.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.496 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -138.47 143.84 39.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.496 ' O ' ' CE ' ' A' ' 60' ' ' MET . 14.0 mt -77.37 132.33 38.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -95.86 -68.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -164.4 -67.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -92.21 -6.31 50.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -162.17 -135.12 1.76 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.475 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 1.7 pm0 -158.29 176.59 12.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 0.78 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -142.05 139.26 32.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.8 t -88.15 97.2 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.1 mt -60.36 -55.42 33.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.448 ' HE3' ' CE1' ' A' ' 22' ' ' TYR . 17.3 ttt -141.68 145.14 34.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 72' ' ' GLY . 59.3 tt0 -179.01 158.04 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.438 ' N ' ' CG ' ' A' ' 71' ' ' GLU . . . 142.36 157.22 7.07 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -65.64 126.93 29.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.412 ' CD2' HG21 ' A' ' 108' ' ' ILE . 21.2 mt -66.44 162.42 20.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 44.4 p -71.33 -42.51 68.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.439 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.569 ' CD2' ' CD1' ' A' ' 103' ' ' TYR . 43.0 m80 -128.56 -176.11 3.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.591 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -88.59 170.63 10.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.413 ' CG2' ' CZ2' ' A' ' 105' ' ' TRP . 2.3 pp -150.42 164.99 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.364 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 82' ' ' SER . 1.2 t-20 -95.76 77.93 3.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 52' ' ' SER . 69.9 p -38.2 -34.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.419 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -56.67 -53.26 59.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 79' ' ' ASN . 5.2 m -74.37 -28.26 61.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.2 m -68.93 142.79 54.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.7 179.49 6.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.539 ' CE3' HG23 ' A' ' 49' ' ' VAL . 1.1 p-90 -165.19 127.23 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.6 p -129.86 129.24 43.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 0.9 OUTLIER -90.46 140.54 29.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -119.57 133.43 23.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.26 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.405 ' HB3' ' CB ' ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.98 122.61 7.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.459 1.768 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 57.16 48.96 75.83 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -151.36 -101.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -161.68 176.22 11.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 108.318 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.7 t -108.53 123.31 64.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.507 ' C ' ' CD1' ' A' ' 94' ' ' LEU . 1.5 tm? -98.39 127.74 44.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 69.7 t -131.66 116.77 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.04 128.64 44.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.2 mt -111.83 136.95 50.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.2 t -94.07 152.07 19.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.53 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 18.6 mttt -89.32 139.54 30.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.3 t -128.21 93.27 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.81 158.43 30.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -69.57 94.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.569 ' CD1' ' CD2' ' A' ' 76' ' ' HIS . 20.2 m-85 -128.58 155.39 45.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 26.2 p90 -100.43 99.16 9.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 108.032 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.53 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 31.9 m95 -74.17 83.56 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.013 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -73.91 -5.07 38.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.559 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . . . -177.23 -172.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.412 HG21 ' CD2' ' A' ' 74' ' ' LEU . 4.9 mm -100.94 -53.22 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.2 mt -102.94 -177.11 3.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -94.89 -27.84 15.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 112' ' ' GLU . . . -66.58 -37.88 92.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.06 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.502 ' CD ' ' CB ' ' A' ' 107' ' ' ALA . 0.2 OUTLIER -52.74 -172.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.31 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -110.72 140.96 23.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.348 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 119.2 5.55 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.9 pt -73.51 172.01 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 117' ' ' ILE . 1.0 OUTLIER -88.38 75.94 8.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.417 ' O ' ' O ' ' A' ' 116' ' ' ASP . 1.9 mm 44.87 -168.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -55.22 17.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.5 p 52.82 174.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -149.85 148.56 19.97 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 122' ' ' SER . 18.5 Cg_endo -74.97 56.93 4.38 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.454 1.765 . . . . 0.0 111.025 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 121' ' ' PRO . 0.3 OUTLIER 38.86 80.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.02 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.14 93.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.5 t -134.02 152.55 51.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 109.993 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -146.7 84.85 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.55 126.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.071 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.5 p -148.35 97.62 2.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -128.5 -58.93 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.61 62.3 6.48 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -71.72 112.34 7.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 110.305 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.02 140.47 53.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -156.3 143.72 13.87 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -46.98 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.54 1.811 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -147.69 -56.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 t -148.83 80.34 1.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -46.92 -56.67 5.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.58 100.98 4.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.85 -179.14 48.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.59 133.23 53.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.0 t -147.94 138.16 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.05 166.97 23.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.38 56.12 3.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 110.271 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -148.99 -58.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.546 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 38.4 p90 -164.79 130.3 2.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.8 m -87.02 148.99 25.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.505 ' CD2' HG12 ' A' ' 108' ' ' ILE . 5.5 p-90 -146.78 161.91 39.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 107.952 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.465 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 8.4 p -147.91 169.51 19.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.986 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -126.03 140.36 52.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.358 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.462 ' OD1' ' CB ' ' A' ' 30' ' ' ASP . 0.9 OUTLIER -132.75 -179.18 5.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 27' ' ' ASP . 3.1 m-85 -37.12 -62.23 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.9 p -148.95 75.92 1.32 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.383 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.462 ' CB ' ' OD1' ' A' ' 27' ' ' ASP . 0.2 OUTLIER 166.96 162.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.463 ' CD2' ' CE3' ' A' ' 105' ' ' TRP . 1.9 mp -128.49 145.34 51.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -129.63 113.11 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -122.83 117.04 50.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -106.85 126.54 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.447 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 58.5 t -106.81 130.19 23.26 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 139.03 23.83 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.491 1.785 . . . . 0.0 110.956 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.418 ' CG1' HG22 ' A' ' 93' ' ' VAL . 32.6 m -123.83 159.18 57.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.48 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.03 176.98 9.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -85.92 12.38 9.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.48 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 4.4 p-80 -113.38 -3.74 13.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.606 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.415 HG23 ' CD2' ' A' ' 40' ' ' HIS . 12.1 t -101.48 103.67 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.427 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 12.1 m -125.46 -39.21 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -82.19 139.49 34.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.73 -1.57 58.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -10.81 35.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 0.804 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -94.88 17.7 13.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.14 129.21 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.35 121.14 41.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 110.049 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.566 HG21 ' CZ3' ' A' ' 85' ' ' TRP . 42.7 t -128.56 131.6 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -127.28 111.88 14.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.427 1.08 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.0 mt -92.05 117.87 30.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.498 ' C ' ' CG2' ' A' ' 80' ' ' THR . 4.7 m -117.05 168.69 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 78' ' ' ILE . 3.5 m -72.9 -33.37 65.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.9 p -138.47 38.93 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 m -167.83 173.98 7.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.547 ' CD1' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -164.36 153.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.142 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.547 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -136.84 135.71 38.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.546 ' CG2' ' CD1' ' A' ' 56' ' ' ILE . 11.3 t -141.35 105.02 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -132.13 155.01 48.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.424 ' HG2' ' CG ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -132.22 137.94 47.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.422 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 14.4 mt -73.79 133.32 43.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -98.64 -65.0 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.66 -66.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -90.64 -7.23 53.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -163.94 -133.82 1.55 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.422 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -160.05 -178.25 6.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.785 . . . . 0.0 110.312 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -146.06 140.64 26.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.36 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.0 t -90.62 101.97 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.424 ' CG ' ' HG2' ' A' ' 60' ' ' MET . 33.4 mt -66.77 -48.55 68.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.465 ' SD ' ' CG ' ' A' ' 22' ' ' TYR . 20.1 ttt -145.16 133.11 21.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -164.29 149.59 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 148.55 158.36 7.97 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.28 139.67 50.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.436 ' CD2' HG23 ' A' ' 108' ' ' ILE . 16.1 mt -75.22 169.11 18.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.3 p -78.93 -45.09 21.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.386 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 38.4 m80 -126.61 161.15 28.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.609 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -66.25 168.27 8.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.423 HD13 ' N ' ' A' ' 80' ' ' THR . 1.7 pp -147.56 -166.91 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -121.75 85.38 2.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.498 ' CG2' ' C ' ' A' ' 52' ' ' SER . 25.2 p -48.58 -40.86 28.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.435 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -55.44 -55.38 32.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.401 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 0.3 OUTLIER -71.51 -25.89 62.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.0 m -77.02 139.94 40.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.494 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 1.1 pp -137.33 179.17 6.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.566 ' CZ3' HG21 ' A' ' 49' ' ' VAL . 5.6 p-90 -159.77 150.84 19.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 107.968 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.8 m -140.87 159.01 43.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -114.24 140.65 48.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -122.45 133.44 24.4 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.353 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.93 119.0 5.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 57.31 50.6 63.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -149.85 -102.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -163.45 175.28 10.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 108.355 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.418 HG22 ' CG1' ' A' ' 37' ' ' VAL . 97.5 t -103.65 138.15 29.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.459 ' C ' ' CD1' ' A' ' 94' ' ' LEU . 2.1 tm? -110.3 134.55 52.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 66.9 t -136.83 123.34 29.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.494 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 17.9 m120 -105.55 114.14 28.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.0 mt -103.12 120.28 40.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.401 ' CB ' ' HB3' ' A' ' 82' ' ' SER . 0.4 OUTLIER -97.85 125.63 42.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.513 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 15.5 mttt -76.52 149.65 36.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 17.1 m -92.37 42.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 143.9 -163.61 27.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -95.97 94.76 7.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -128.32 155.24 44.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.561 ' CD1' ' O ' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -104.85 112.1 25.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 108.019 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.513 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 8.3 m95 -91.13 119.95 31.67 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -92.24 -16.72 25.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -165.49 157.6 15.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.505 HG12 ' CD2' ' A' ' 24' ' ' TRP . 4.8 mm -76.6 -61.34 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.2 mt -97.56 156.97 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -66.97 -12.94 61.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -108.94 42.38 1.97 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -134.71 123.36 23.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 110.332 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -43.63 144.39 1.37 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.75 30.68 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.791 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 35.9 pt -105.81 -179.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 117' ' ' ILE . 12.4 t0 -126.48 -56.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.461 ' C ' ' O ' ' A' ' 116' ' ' ASP . 0.9 OUTLIER 35.28 -150.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.421 ' N ' ' CG1' ' A' ' 117' ' ' ILE . 10.8 m-20 -74.5 158.29 34.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.69 174.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.027 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 80.73 161.98 26.69 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 126.59 10.07 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.02 123.77 28.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -133.69 145.68 50.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.135 . . . . 0.0 110.947 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t 64.81 111.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 110.036 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.54 143.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.81 116.65 0.59 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.562 1.164 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t 52.45 88.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 110.049 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 t -150.9 -58.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.69 65.61 0.74 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.115 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.66 111.47 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -164.54 -60.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 179.13 155.68 0.62 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -45.69 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -166.62 -52.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 t -177.52 120.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.985 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -106.72 85.27 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -174.29 -59.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 149.49 167.96 14.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.434 ' O ' ' CG2' ' A' ' 18' ' ' VAL . . . 62.9 114.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 0.782 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 17' ' ' ALA . 51.6 t -155.95 136.58 4.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -135.16 163.15 30.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -91.21 56.8 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -157.67 -53.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.532 ' CG ' ' SD ' ' A' ' 70' ' ' MET . 48.0 p90 -160.93 130.63 4.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.9 m -86.93 156.24 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.507 ' CG ' HG13 ' A' ' 108' ' ' ILE . 6.5 p-90 -163.41 163.88 24.81 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.3 m -151.41 159.79 44.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.026 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -112.9 132.14 55.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.336 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -113.94 177.87 4.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -43.72 -41.75 5.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.4 t -162.84 69.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 110.44 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 165.69 158.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.511 HD23 ' CD2' ' A' ' 105' ' ' TRP . 1.0 OUTLIER -125.45 159.23 32.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -146.74 104.77 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.65 116.57 52.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -106.55 123.61 48.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.097 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.483 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 95.1 t -104.38 133.12 20.37 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 137.12 21.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.9 m -122.78 158.78 55.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.277 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.5 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.97 179.11 6.39 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -86.91 12.9 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.5 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 5.3 p-80 -114.77 -3.72 12.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.589 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.3 t -102.07 109.81 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.412 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 15.8 m -130.04 -41.51 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.48 144.85 37.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.38 -2.73 84.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.156 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -15.91 28.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.755 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -83.18 7.92 14.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.65 140.31 33.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 m -106.44 139.33 41.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.562 HG11 ' CD1' ' A' ' 85' ' ' TRP . 78.9 t -138.96 119.97 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -113.32 120.12 40.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.2 mt -119.07 124.2 46.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.423 ' O ' ' CG2' ' A' ' 80' ' ' THR . 17.1 m -128.38 -58.84 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.1 t 172.25 -59.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.003 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.0 p -114.7 31.43 6.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.969 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.41 ' N ' HD12 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -154.28 145.02 22.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.542 ' CD1' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -142.83 151.59 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.542 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 8.5 ttt180 -140.01 134.35 31.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.486 ' CG2' ' CD1' ' A' ' 56' ' ' ILE . 21.2 t -139.07 98.15 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -122.97 151.45 41.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.417 ' HG2' ' CD2' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -128.79 145.12 51.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.406 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 11.8 mt -78.26 128.64 34.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 64' ' ' ASN . 6.8 mm-40 -106.97 38.22 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 66.42 -73.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 62' ' ' GLU . 3.3 m-20 -64.09 -32.02 73.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.85 -131.35 1.21 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.406 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -158.31 172.86 17.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 110.302 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -149.03 142.78 25.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.8 t -87.54 98.83 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.417 ' CD2' ' HG2' ' A' ' 60' ' ' MET . 37.2 mt -62.48 -54.62 37.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.532 ' SD ' ' CG ' ' A' ' 22' ' ' TYR . 20.5 ttt -139.15 133.57 31.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.443 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 9.5 tm-20 -162.73 152.08 15.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.443 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 151.49 159.28 8.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.23 112.77 14.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.774 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.445 ' CD2' HG21 ' A' ' 108' ' ' ILE . 8.9 mt -48.42 172.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.0 p -88.07 -38.96 15.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 105' ' ' TRP . 17.8 m80 -126.1 176.42 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.625 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -90.52 166.24 13.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.463 ' C ' ' CG1' ' A' ' 100' ' ' VAL . 1.8 pp -140.48 -172.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 83' ' ' SER . 7.5 t-20 -111.79 79.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.423 ' CG2' ' O ' ' A' ' 52' ' ' SER . 80.2 p -47.55 -23.33 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.437 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -73.0 -41.9 63.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.459 ' N ' ' HG3' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -94.25 -9.54 35.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.966 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' ASN . 3.8 m -82.27 149.76 27.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.015 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.72 179.78 7.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.562 ' CD1' HG11 ' A' ' 49' ' ' VAL . 7.6 p-90 -164.79 129.25 2.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 107.976 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.99 153.4 33.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -114.0 139.02 49.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.153 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -119.44 132.73 23.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.96 124.5 8.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.15 44.74 88.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -146.04 -101.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -162.87 166.54 23.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 108.284 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 35' ' ' VAL . 88.0 t -92.36 142.6 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.91 131.94 56.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 71.0 t -135.32 106.44 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -88.54 125.99 35.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 15.6 mt -112.73 116.56 30.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 m -92.19 109.24 20.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.485 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 28.9 mttt -55.21 145.35 21.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.463 ' CG1' ' C ' ' A' ' 78' ' ' ILE . 30.2 m -91.25 42.44 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 128.52 -178.82 16.96 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.44 94.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.286 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -128.33 155.69 44.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -107.68 112.79 25.66 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.549 ' CZ2' ' HB2' ' A' ' 76' ' ' HIS . 14.3 m95 -95.6 126.99 41.26 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -107.31 -9.95 15.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -171.03 163.8 7.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.507 HG13 ' CG ' ' A' ' 24' ' ' TRP . 3.3 mm -88.42 -59.38 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.8 mt -101.26 167.12 10.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -73.51 154.56 39.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.306 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.19 -48.69 4.08 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -39.86 114.33 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 0.78 . . . . 0.0 110.32 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -39.07 147.99 0.27 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 160.16 40.54 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.505 1.792 . . . . 0.0 110.969 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 22.5 pt -96.98 169.16 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -163.19 115.09 1.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 1.9 mp -86.19 121.6 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -100.91 157.04 17.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.357 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.9 t -90.54 -61.17 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -85.36 157.36 31.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 114.91 4.14 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.479 1.778 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.5 t -123.31 155.86 36.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 m 178.97 97.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.057 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.08 106.44 2.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 0.786 . . . . 0.0 109.994 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.15 110.22 11.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.3 172.81 29.3 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -88.46 143.62 26.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.21 103.95 16.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.92 -103.58 0.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.45 1.094 . . . . 0.0 111.031 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 50.9 90.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 110.258 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.55 -65.57 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.96 138.77 20.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 178.43 7.26 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 111.057 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -90.87 78.36 6.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.75 111.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 0.0 109.954 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -111.04 -174.25 2.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -70.45 155.06 41.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.17 -64.28 0.75 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.43 1.081 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.472 ' O ' ' O ' ' A' ' 18' ' ' VAL . . . -56.4 179.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.472 ' O ' ' O ' ' A' ' 17' ' ' ALA . 1.1 m 46.83 -176.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.45 ' N ' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER 177.55 -172.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -83.58 -41.61 17.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -48.44 -62.39 1.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.539 ' CE1' ' HE3' ' A' ' 70' ' ' MET . 34.0 p90 -156.86 135.17 11.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 85.1 m -86.58 159.26 19.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.364 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.56 ' CE3' HD11 ' A' ' 108' ' ' ILE . 4.3 p-90 -162.67 161.34 26.46 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.99 175.63 12.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.014 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.92 108.1 4.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -133.08 142.79 48.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 60.85 -78.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.4 t -176.26 53.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.0 p30 -152.47 174.47 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.516 HD21 ' CG ' ' A' ' 105' ' ' TRP . 0.4 OUTLIER -132.14 115.17 15.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.61 101.97 10.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -109.15 116.36 51.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.5 mtt180 -106.48 131.06 54.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 48.1 t -113.19 131.55 22.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.0 Cg_endo -75.04 142.66 28.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.523 1.801 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.0 m -127.65 158.67 69.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.622 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.0 177.27 8.81 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -86.11 12.52 9.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.622 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 8.0 p-80 -113.63 -3.59 13.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.62 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.446 HG23 ' CD2' ' A' ' 40' ' ' HIS . 21.2 t -103.27 110.38 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 16.5 m -129.79 -41.34 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -79.35 147.15 32.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.44 -16.18 80.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.83 -13.77 59.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' LEU . 2.4 mt-30 -80.64 -15.77 55.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.17 143.42 37.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.1 m -105.49 137.58 43.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.045 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.555 HG22 ' CH2' ' A' ' 85' ' ' TRP . 47.3 t -133.85 103.99 5.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.26 112.65 25.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.0 mt -112.3 136.58 51.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.471 ' O ' ' CG2' ' A' ' 80' ' ' THR . 24.7 m -127.52 -70.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.032 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 95.1 p 179.3 -48.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 74' ' ' LEU . 5.4 p -119.68 31.51 6.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.6 t -162.1 173.84 13.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.017 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.558 ' CD1' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -165.06 156.47 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.558 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -138.54 130.57 28.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.538 ' CG2' ' CD1' ' A' ' 56' ' ' ILE . 19.8 t -136.53 97.42 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.95 159.19 26.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.468 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -139.11 143.94 38.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 12.6 mt -76.55 132.71 39.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -97.59 -68.04 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.16 -69.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -90.47 -8.01 51.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.93 -136.07 1.94 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.474 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -157.24 -177.49 6.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 0.78 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -148.68 143.0 26.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.4 t -91.48 97.26 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 58' ' ' VAL . 51.4 mt -57.14 -60.11 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.539 ' HE3' ' CE1' ' A' ' 22' ' ' TYR . 25.4 ttt -132.09 144.72 50.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 14.2 tm-20 -175.77 148.61 0.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.452 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 149.6 153.49 6.07 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -68.47 125.25 25.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 0.813 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.477 ' HB3' ' CZ3' ' A' ' 105' ' ' TRP . 9.2 mt -64.92 174.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.7 p -83.13 -35.51 25.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.433 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.449 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 5.2 m-70 -132.67 176.7 8.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.576 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -87.41 159.98 18.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.454 HG22 ' CZ2' ' A' ' 105' ' ' TRP . 2.1 pp -136.56 176.69 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -104.03 82.5 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.471 ' CG2' ' O ' ' A' ' 52' ' ' SER . 2.4 p -46.98 -27.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -71.11 -50.79 29.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.71 -19.73 58.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.9 m -78.86 161.23 26.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.78 179.63 8.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.555 ' CH2' HG22 ' A' ' 49' ' ' VAL . 2.6 p-90 -164.6 130.74 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.32 135.16 50.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.485 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 0.9 OUTLIER -97.08 140.78 31.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -120.14 133.4 23.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.93 124.3 8.56 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.94 46.68 83.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -148.61 -101.36 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -161.92 173.54 14.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 108.3 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 36.6 t -100.83 135.91 34.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.418 ' CD1' ' ND2' ' A' ' 96' ' ' ASN . 2.2 tm? -105.46 132.38 51.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 72.9 t -137.36 119.31 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.418 ' ND2' ' CD1' ' A' ' 94' ' ' LEU . 4.4 m-80 -102.83 132.47 49.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.9 mt -120.4 118.05 29.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.83 109.54 22.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.957 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -55.27 141.55 35.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.1 m -92.21 41.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.31 175.24 13.81 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.137 . . . . 0.0 110.957 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -69.54 94.26 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 0.738 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -129.07 155.95 44.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.466 ' CG ' ' O ' ' A' ' 104' ' ' TRP . 13.7 p90 -111.98 93.01 4.24 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.516 ' CG ' HD21 ' A' ' 31' ' ' LEU . 10.6 m95 -73.27 84.88 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.025 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -58.7 -17.21 20.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -164.58 161.22 20.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.56 HD11 ' CE3' ' A' ' 24' ' ' TRP . 15.2 mm -74.87 -60.58 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.5 mt -103.62 175.15 5.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -77.39 165.55 24.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 78.9 -54.64 4.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -39.86 114.57 0.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 110.292 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -39.01 138.07 0.86 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 123.1 7.62 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.545 1.813 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 17.5 pt -45.3 167.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 117' ' ' ILE . 0.9 OUTLIER -91.13 79.22 5.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 116' ' ' ASP . 1.4 mp -39.64 115.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.46 -47.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.7 m 58.89 114.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.975 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -112.26 -146.17 9.98 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 122.09 7.01 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.74 161.77 20.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.39 80.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.76 -58.37 7.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 110.048 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.0 103.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.971 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.82 -90.49 0.08 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m -81.86 166.17 20.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.749 . . . . 0.0 110.055 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 m 62.86 154.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.018 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.93 97.33 2.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -150.52 -59.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 0.731 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.38 166.05 15.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -147.87 146.19 23.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -177.65 3.62 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 111.012 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.95 130.29 36.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 55.8 p 52.97 100.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.968 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.483 ' CD1' ' O ' ' A' ' 14' ' ' TYR . 2.3 p90 -148.85 130.33 14.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 179.02 -50.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -125.99 -100.64 1.21 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -129.35 119.53 24.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.1 m -103.81 171.55 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -166.58 164.68 16.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -81.12 63.5 5.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -162.68 -62.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.533 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 42.8 p90 -159.45 129.46 5.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 p -86.49 157.96 19.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 110.433 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.526 ' CE2' HG12 ' A' ' 108' ' ' ILE . 8.0 p-90 -163.81 165.98 22.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 108.017 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.5 p -149.12 156.03 41.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.402 ' HB3' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -108.27 127.47 53.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.265 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -114.86 170.18 8.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -38.16 -33.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.7 t -172.32 73.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 t70 170.86 154.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.439 HD23 ' CZ3' ' A' ' 24' ' ' TRP . 2.4 mp -129.14 114.68 16.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.11 107.57 18.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.137 . . . . 0.0 110.259 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.15 134.38 54.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.444 ' CG ' HD21 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -123.16 131.21 53.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.472 HG13 ' CD1' ' A' ' 69' ' ' LEU . 92.1 t -110.78 130.41 22.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 138.4 22.97 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.53 1.805 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.406 ' HB ' ' HD2' ' A' ' 38' ' ' PRO . 32.6 m -121.41 159.65 49.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.591 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.05 -178.86 4.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.73 10.27 21.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.591 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 3.6 p-80 -108.38 -5.57 16.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.575 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.0 t -101.08 99.71 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.508 HG13 ' CB ' ' A' ' 89' ' ' PRO . 27.5 m -142.94 16.63 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.85 -87.83 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 154.63 -33.77 0.69 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.7 pttt -76.65 -11.8 59.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 0.794 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 61' ' ' LEU . 22.6 mt-30 -76.4 -26.63 55.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.98 141.29 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -112.85 153.87 27.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.529 HG21 ' CZ2' ' A' ' 85' ' ' TRP . 65.7 t -140.97 131.85 27.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.438 ' HB1' ' CB ' ' A' ' 57' ' ' ARG . . . -127.42 110.75 13.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.2 mt -114.45 123.17 48.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.461 ' O ' ' CG2' ' A' ' 80' ' ' THR . 7.5 m -119.04 -65.97 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 52' ' ' SER . 29.1 t 174.16 -55.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.0 p -114.94 26.31 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.027 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.2 t -155.11 175.06 14.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.48 ' CD1' HG21 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -164.75 155.68 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.438 ' CB ' ' HB1' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -143.33 132.06 22.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.48 HG21 ' CD1' ' A' ' 56' ' ' ILE . 78.5 t -138.07 131.03 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -151.1 164.01 37.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.555 ' HE2' ' CE1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -147.37 139.16 24.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.991 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.484 ' O ' ' CE ' ' A' ' 60' ' ' MET . 12.8 mt -73.23 129.21 37.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -95.61 -67.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.01 -72.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.33 -8.69 57.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.91 -135.53 1.83 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.469 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -154.74 -173.21 4.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.291 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -152.91 139.62 18.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.412 ' CG1' ' HB2' ' A' ' 71' ' ' GLU . 81.9 t -89.53 96.99 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.472 ' CD1' HG13 ' A' ' 35' ' ' VAL . 28.7 mt -59.35 -50.92 72.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' VAL . 25.8 ttt -139.62 143.76 37.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' A' ' 72' ' ' GLY . 0.0 OUTLIER -175.75 152.41 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.28 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.438 ' N ' ' OE1' ' A' ' 71' ' ' GLU . . . 140.11 157.53 7.27 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.563 1.164 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.74 138.98 55.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.793 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.7 mt -78.75 176.22 9.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.0 p -83.82 -33.05 25.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.393 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 103' ' ' TYR . 68.9 m-70 -137.59 -173.35 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.585 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -90.2 169.61 10.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.4 pp -148.9 159.83 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -86.42 83.65 7.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.461 ' CG2' ' O ' ' A' ' 52' ' ' SER . 16.9 p -51.2 -21.05 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -76.02 -41.22 51.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.324 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.64 -10.82 41.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.9 m -89.02 120.59 30.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.9 OUTLIER -114.86 179.47 3.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.529 ' CZ2' HG21 ' A' ' 49' ' ' VAL . 1.6 p-90 -159.75 126.97 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 108.019 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.9 m -119.99 149.32 42.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.401 ' CD2' ' N ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER -106.03 141.95 36.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.401 ' N ' ' CD2' ' A' ' 87' ' ' LEU . 2.4 mt-10 -123.46 134.22 25.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.508 ' CB ' HG13 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -74.98 120.23 5.99 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.6 47.21 78.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -144.21 -102.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.4 p -163.86 167.89 20.18 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.12 . . . . 0.0 108.301 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 43.0 t -94.42 130.23 43.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.444 HD21 ' CG ' ' A' ' 34' ' ' ARG . 2.6 tm? -106.9 129.37 54.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.458 ' CG2' ' HB2' ' A' ' 85' ' ' TRP . 64.6 t -135.97 129.23 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.47 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 1.0 OUTLIER -101.11 113.49 26.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.6 mt -101.65 115.13 29.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.3 146.34 27.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -83.19 134.33 34.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.5 t -115.99 92.99 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.58 150.4 10.2 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.442 1.089 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.21 93.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.317 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.567 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 30.6 m-85 -129.3 156.03 44.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.502 ' O ' ' CD2' ' A' ' 76' ' ' HIS . 1.2 t-105 -88.84 116.36 27.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 108.027 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.452 ' O ' ' CB ' ' A' ' 106' ' ' ASN . 11.7 m95 -91.55 -75.26 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 108.009 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 105' ' ' TRP . 1.5 t-20 78.4 -52.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.349 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -128.93 161.29 30.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.526 HG12 ' CE2' ' A' ' 24' ' ' TRP . 10.1 mm -77.91 -58.83 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 64.6 mt -102.69 160.98 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.34 -17.81 57.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -71.07 -30.29 67.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -72.09 -163.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.352 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.96 157.89 51.58 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 109.88 3.01 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.448 ' CG1' ' OD1' ' A' ' 106' ' ' ASN . 43.8 pt -51.05 158.87 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.22 -52.51 2.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 3.0 mm -40.68 135.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 66.67 92.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.9 t -166.68 119.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -63.08 -162.38 0.34 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 58.03 4.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.83 125.32 37.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.45 158.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.487 1.117 . . . . 0.0 110.963 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.03 88.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 109.966 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.3 p -122.9 109.94 14.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.965 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.47 -84.35 0.56 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 m -96.66 149.82 21.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -68.19 100.49 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.59 -137.54 46.94 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -123.35 151.48 42.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 0.735 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.36 101.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 60.09 157.55 0.1 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -43.31 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.15 144.31 35.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.9 t 59.89 92.13 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.037 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -76.58 -50.53 13.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.957 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -168.84 144.18 3.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.68 -171.28 18.38 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.48 ' HB3' ' CE2' ' A' ' 24' ' ' TRP . . . -79.27 113.57 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.483 ' CG2' HG22 ' A' ' 23' ' ' THR . 97.4 t -129.99 145.17 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.425 ' O ' ' HB3' ' A' ' 20' ' ' GLU . 38.1 tpt85 -105.87 -77.59 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.425 ' HB3' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER 170.74 40.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 2.1 p30 -175.78 -40.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.549 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 38.3 p90 -138.93 129.86 26.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.483 HG22 ' CG2' ' A' ' 18' ' ' VAL . 2.3 p -89.01 149.8 23.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.364 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.607 ' CD2' ' CG1' ' A' ' 108' ' ' ILE . 19.1 p-90 -154.8 163.77 39.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 107.992 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.4 p -153.97 160.19 41.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.972 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -108.27 125.59 51.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -105.36 -178.63 3.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -38.4 -58.1 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.1 t -151.59 70.49 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 165.54 150.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.13 155.33 18.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -142.51 107.54 4.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -121.35 120.11 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -108.45 123.25 48.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.476 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 48.0 t -101.38 129.52 26.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 136.71 20.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.776 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.4 m -121.46 158.97 52.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.535 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.96 175.94 10.56 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.462 1.77 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -83.56 7.76 16.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.544 ' CD2' HG23 ' A' ' 41' ' ' VAL . 2.8 p-80 -106.39 -4.69 19.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.622 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.544 HG23 ' CD2' ' A' ' 40' ' ' HIS . 25.5 t -102.45 109.27 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.0 m -137.27 19.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -142.85 146.63 34.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.47 -25.83 75.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.19 -14.73 61.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -81.74 5.01 19.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.234 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.93 169.11 16.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.13 126.25 38.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.508 HG22 ' CD2' ' A' ' 85' ' ' TRP . 54.1 t -126.13 131.6 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -129.13 110.91 12.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.9 mt -111.66 128.12 55.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 53' ' ' SER . 0.6 OUTLIER -132.92 -59.79 0.88 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 52' ' ' SER . 14.6 t 170.78 -45.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.39 38.46 3.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.996 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.94 153.08 32.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.406 HD11 ' CG2' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -149.85 142.83 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -143.93 122.88 12.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.406 ' CG2' HD11 ' A' ' 56' ' ' ILE . 49.0 t -132.41 96.94 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.21 129.79 51.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.5 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -103.26 143.48 32.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.5 ' O ' ' CE ' ' A' ' 60' ' ' MET . 8.4 mt -71.68 139.54 49.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -105.64 -173.17 2.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -68.77 -38.24 79.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -134.63 54.68 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 142.12 -141.16 10.61 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.12 169.55 22.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -139.11 141.19 38.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.0 t -94.43 97.11 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.475 HD12 ' CG1' ' A' ' 35' ' ' VAL . 22.8 mt -64.05 -50.71 67.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.47 ' SD ' ' CG ' ' A' ' 22' ' ' TYR . 27.7 ttt -141.33 145.58 35.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 11.6 tm-20 -177.55 151.32 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.446 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 147.63 148.96 4.86 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.76 115.18 7.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 47.4 mt -52.46 174.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.465 ' CG2' ' O ' ' A' ' 107' ' ' ALA . 44.4 p -93.05 -37.69 12.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.448 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.417 ' NE2' ' HB3' ' A' ' 104' ' ' TRP . 0.3 OUTLIER -119.63 174.42 6.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -91.84 159.15 15.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.497 ' CG2' ' CZ2' ' A' ' 105' ' ' TRP . 2.2 pp -139.77 157.2 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.417 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 3.4 t-20 -88.41 81.41 7.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' A' ' 52' ' ' SER . 52.4 p -40.33 -39.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.399 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -51.91 -57.83 8.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.09 -29.91 68.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.048 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.5 m -66.67 162.46 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.3 OUTLIER -151.67 178.65 9.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.508 ' CD2' HG22 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -164.97 125.54 1.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.2 m -128.06 162.71 26.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.35 144.94 46.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -127.32 135.8 27.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 118.72 5.37 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.766 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.2 51.66 54.49 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -150.12 -102.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.336 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.2 p -164.03 175.42 10.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 108.289 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 45.9 t -102.54 130.69 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -96.9 129.32 44.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 86.8 t -137.9 136.54 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.476 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 3.6 m-80 -126.82 112.22 15.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 17.6 mt -92.51 118.32 30.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.417 ' CB ' ' HB3' ' A' ' 79' ' ' ASN . 24.7 t -70.5 138.85 51.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.602 ' HB3' ' CD1' ' A' ' 103' ' ' TYR . 2.0 mmtp -84.19 145.48 28.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 101' ' ' GLY . 1.7 m -132.27 144.05 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.369 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.656 ' O ' ' CD1' ' A' ' 103' ' ' TYR . . . 36.81 -138.14 0.47 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.51 1.131 . . . . 0.0 111.031 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -68.66 102.38 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.656 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 4.4 m-30 -67.0 93.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.417 ' HB3' ' NE2' ' A' ' 76' ' ' HIS . 9.7 t-105 -117.04 92.66 3.92 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.506 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 60.0 m95 -123.5 119.58 30.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -127.61 6.14 6.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.465 ' O ' ' CG2' ' A' ' 75' ' ' THR . . . 176.67 106.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.607 ' CG1' ' CD2' ' A' ' 24' ' ' TRP . 5.5 mm -37.08 -50.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 41.6 mt -115.87 152.46 33.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -60.2 -15.24 22.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -104.4 50.41 0.86 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -146.49 128.51 15.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.787 . . . . 0.0 110.312 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -42.51 147.82 0.58 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 105.96 2.18 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.483 1.78 . . . . 0.0 111.04 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 19.7 pt -48.74 175.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -113.88 -48.03 2.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 7.1 mm -53.4 138.14 13.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.5 t0 58.31 89.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.6 122.88 5.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.03 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -84.06 165.7 41.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 72.55 4.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 30.8 t -174.58 152.51 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.74 -58.27 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.057 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -65.35 141.38 58.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 0.779 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.98 -58.35 8.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.009 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.39 76.24 0.97 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.554 1.159 . . . . 0.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 40.54 90.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.761 . . . . 0.0 109.973 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -156.95 123.37 4.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.28 167.7 1.35 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.55 1.156 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -130.41 -58.33 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 0.801 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -170.56 -61.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 109.302 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -140.76 131.08 13.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -47.55 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.541 1.811 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.4 p30 179.19 164.94 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 48.86 86.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.954 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -134.02 -45.24 0.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -175.8 153.9 1.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.04 -108.23 2.44 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.464 1.102 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 18' ' ' VAL . . . -47.64 169.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 17' ' ' ALA . 16.8 m 36.89 -148.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER 162.94 -71.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.69 -33.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -68.09 -56.89 7.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 41.4 p90 -147.4 126.11 12.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 p -94.76 157.01 16.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.438 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.65 ' CG ' ' CG1' ' A' ' 108' ' ' ILE . 11.3 p-90 -153.13 163.1 40.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.006 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.2 m -150.16 161.08 43.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.473 ' OE1' ' CD1' ' A' ' 115' ' ' ILE . 1.2 pt20 -113.34 130.8 56.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.4 178.33 4.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -38.21 -55.0 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.26 75.83 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.43 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 164.93 149.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.561 HD22 ' CE3' ' A' ' 105' ' ' TRP . 2.2 mp -112.11 134.92 53.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -122.98 104.55 9.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.68 122.83 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.13 131.91 56.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.434 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 21.6 t -110.97 134.68 20.94 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.1 Cg_endo -75.07 140.92 25.84 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.7 m -128.12 158.17 71.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.568 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.0 177.97 7.89 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -85.55 11.15 11.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.568 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 4.2 p-80 -111.05 -4.61 15.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.584 1.178 . . . . 0.0 109.62 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.442 HG21 ' CD2' ' A' ' 40' ' ' HIS . 15.6 t -100.08 108.74 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.436 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 16.2 m -130.2 -40.69 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -85.84 130.58 34.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.88 -17.03 53.89 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -74.34 -6.74 49.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -92.39 -15.49 27.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.36 135.49 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.9 m -96.32 140.09 31.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.025 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.556 HG21 ' CE3' ' A' ' 85' ' ' TRP . 44.8 t -139.79 127.06 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -127.34 111.89 14.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -112.85 127.07 56.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.267 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.504 ' O ' ' CG2' ' A' ' 80' ' ' THR . 70.1 m -128.92 -63.01 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.414 ' HB3' ' O ' ' A' ' 52' ' ' SER . 68.9 p 175.27 -52.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 100.0 p -121.04 33.45 5.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.38 152.67 27.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.969 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.55 ' CD1' ' CG2' ' A' ' 58' ' ' VAL . 0.0 OUTLIER -149.34 150.27 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.501 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 15.4 ttt180 -138.99 130.68 27.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.55 ' CG2' ' CD1' ' A' ' 56' ' ' ILE . 6.8 t -139.93 97.27 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -127.84 142.93 51.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.472 ' HG2' ' CD2' ' A' ' 69' ' ' LEU . 1.9 ptm -114.36 137.55 51.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 mt -67.31 140.1 57.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -104.81 -174.63 2.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -72.48 -21.71 61.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -147.6 51.19 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 142.37 -134.97 6.35 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.13 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -157.15 -179.21 7.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.52 147.67 23.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.7 t -92.75 113.19 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.472 ' CD2' ' HG2' ' A' ' 60' ' ' MET . 77.3 mt -73.37 -51.39 17.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.592 ' SD ' ' CD1' ' A' ' 22' ' ' TYR . 12.7 ttt -125.1 -93.24 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.468 ' N ' ' HG2' ' A' ' 70' ' ' MET . 3.6 tt0 59.58 146.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.42 ' HA3' ' CD1' ' A' ' 109' ' ' LEU . . . 150.11 149.08 4.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.577 1.173 . . . . 0.0 111.019 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -68.55 124.35 23.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.7 mt -66.13 157.1 32.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.0 p -73.64 -38.66 64.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -126.51 -176.85 3.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.58 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -90.17 168.96 11.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.4 pp -147.96 164.13 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 80' ' ' THR . 5.1 t-20 -95.11 79.68 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 52' ' ' SER . 69.5 p -37.87 -49.9 1.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 110.384 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -47.28 -53.82 12.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -31.64 67.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.5 m -76.46 157.56 32.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 1.4 pp -155.04 179.23 9.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.556 ' CE3' HG21 ' A' ' 49' ' ' VAL . 5.3 p-90 -151.02 121.87 7.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.01 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.9 m -117.89 126.53 52.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.949 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.445 ' HB2' ' CZ3' ' A' ' 85' ' ' TRP . 1.2 tm? -91.63 143.57 26.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 92' ' ' CYS . 0.4 OUTLIER -124.67 135.37 26.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.436 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.94 123.06 7.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.551 1.816 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.58 59.78 9.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -161.01 -97.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -164.03 177.67 8.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 108.281 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.1 t -105.12 132.29 52.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -101.35 134.74 43.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 63.4 t -139.95 108.18 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.485 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 15.1 m120 -95.3 107.53 19.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.9 mt -96.58 131.87 42.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.15 157.26 18.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.023 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -90.64 137.68 32.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 24.3 t -125.6 90.95 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.54 152.48 23.34 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 94.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 0.797 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -128.94 155.93 44.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -98.38 103.8 15.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 107.959 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.561 ' CE3' HD22 ' A' ' 31' ' ' LEU . 20.3 m95 -80.28 94.14 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -83.26 -7.6 59.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.416 ' CB ' ' HB3' ' A' ' 112' ' ' GLU . . . -174.35 174.85 2.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.65 ' CG1' ' CG ' ' A' ' 24' ' ' TRP . 22.3 mm -87.25 -58.21 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.42 ' CD1' ' HA3' ' A' ' 72' ' ' GLY . 24.8 mt -100.09 164.16 12.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -72.92 -18.73 61.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -98.56 26.0 25.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.416 ' HB3' ' CB ' ' A' ' 107' ' ' ALA . 0.9 OUTLIER -113.21 140.12 48.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.77 . . . . 0.0 110.286 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.56 145.2 83.27 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 117.71 5.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.535 1.808 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.473 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 43.0 pt -48.73 158.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 117' ' ' ILE . 2.1 m-20 -91.61 76.05 5.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.415 ' O ' ' O ' ' A' ' 116' ' ' ASP . 1.9 mm 45.33 -169.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 172.25 137.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -175.42 78.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.966 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 111.6 178.21 20.19 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.142 . . . . 0.0 110.965 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 168.93 23.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.6 t -47.06 -58.36 4.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.034 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.08 136.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.043 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 111.039 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.45 144.87 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 m -149.32 138.89 21.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.42 100.32 2.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.41 -58.68 2.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 0.796 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.8 158.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.81 -98.94 0.3 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.68 -60.29 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -63.91 116.66 6.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -46.48 145.95 2.63 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -43.4 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -47.83 162.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.9 t 60.99 112.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.18 -56.6 2.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -162.4 -55.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.368 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.16 166.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.65 122.16 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.2 m -111.58 168.85 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.2 tpt85 -155.4 149.17 25.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -62.08 -48.08 81.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.256 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -53.24 -58.82 5.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 43.7 p90 -152.05 129.11 11.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 p -86.57 150.57 24.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.557 ' CE3' HD13 ' A' ' 108' ' ' ILE . 7.9 p-90 -155.45 160.7 40.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.6 m -147.6 161.6 40.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -108.36 136.29 48.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -126.84 170.15 12.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -37.47 -56.55 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.413 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 10.0 t -150.63 74.4 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.413 ' CB ' ' O ' ' A' ' 29' ' ' THR . 0.3 OUTLIER 162.36 159.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.572 HD22 ' CE3' ' A' ' 105' ' ' TRP . 3.4 mp -125.45 141.4 52.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.03 105.93 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.251 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -116.23 127.26 73.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -117.24 131.13 56.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.425 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 17.8 t -111.35 130.39 23.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.88 25.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.8 m -126.7 158.26 68.54 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.535 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.1 Cg_endo -74.97 176.65 9.62 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.444 1.76 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -85.72 11.75 10.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.535 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 3.5 p-80 -110.58 -5.55 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.644 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.481 HG21 ' CD2' ' A' ' 40' ' ' HIS . 42.1 t -102.59 115.16 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 17.9 m -135.71 -41.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -77.22 138.38 39.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.88 -14.05 57.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -83.11 -12.89 56.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 0.729 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -79.52 -6.43 56.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.414 ' CG2' ' HG ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -135.43 151.17 29.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -114.44 147.79 38.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.564 HG23 ' CH2' ' A' ' 85' ' ' TRP . 44.1 t -140.13 109.35 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.93 108.3 19.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.9 mt -110.79 134.77 52.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.417 ' O ' ' CG2' ' A' ' 80' ' ' THR . 63.6 m -132.23 -66.3 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.99 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.45 ' O ' HG13 ' A' ' 78' ' ' ILE . 78.5 p 177.04 -39.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.473 ' CB ' ' HD2' ' A' ' 77' ' ' LYS . 5.6 t -137.81 41.17 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.02 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.73 135.32 2.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.5 tt -124.78 152.97 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.2 ttt180 -143.99 110.32 5.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.8 t -120.83 105.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -126.52 144.81 50.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.47 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -121.37 137.02 54.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.47 ' O ' ' CE ' ' A' ' 60' ' ' MET . 9.2 mt -68.26 134.95 51.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -100.39 -173.67 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -69.65 -31.28 69.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -140.93 53.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 142.44 -138.28 8.35 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.03 169.79 22.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.787 . . . . 0.0 110.301 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.26 145.55 32.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.5 t -93.4 96.28 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.447 ' CD2' ' HG2' ' A' ' 60' ' ' MET . 45.3 mt -57.54 -58.54 7.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.476 ' SD ' ' CG ' ' A' ' 22' ' ' TYR . 25.6 ttt -135.06 136.41 42.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.456 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 11.8 tm-20 -169.61 141.62 2.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.336 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.456 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 157.2 154.48 7.08 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 123.56 18.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.445 ' CD2' HG23 ' A' ' 108' ' ' ILE . 18.8 mt -60.52 -171.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.57 ' OG1' ' CZ3' ' A' ' 105' ' ' TRP . 52.6 p -81.86 -35.57 29.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.484 ' CG ' ' O ' ' A' ' 75' ' ' THR . 34.1 m80 -163.36 -173.08 3.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.597 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.503 ' HD3' ' N ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -69.44 165.28 21.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 53' ' ' SER . 2.1 pp -152.94 -172.75 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -107.11 84.93 2.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.417 ' CG2' ' O ' ' A' ' 52' ' ' SER . 2.6 p -49.92 -47.06 52.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.418 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -50.21 -55.19 16.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.268 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.469 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 12.9 t -66.32 -33.94 76.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.949 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.6 m -68.57 124.57 23.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.991 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.44 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.5 OUTLIER -110.15 178.2 4.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.564 ' CH2' HG23 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -165.07 120.5 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 107.997 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.8 m -127.04 133.08 50.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.414 ' HG ' ' CG2' ' A' ' 47' ' ' VAL . 0.9 OUTLIER -92.11 144.49 25.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -122.82 134.87 25.25 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.5 Cg_endo -74.96 124.3 8.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.2 46.52 62.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.525 1.141 . . . . 0.0 111.049 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -145.61 -103.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -163.95 175.99 9.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 108.291 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 91.9 t -101.63 138.21 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -112.78 132.22 55.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 96' ' ' ASN . 54.4 t -138.88 143.35 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.44 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 2.6 m-80 -125.93 126.08 43.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.8 mt -107.5 117.14 33.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.469 ' CB ' ' HB3' ' A' ' 82' ' ' SER . 15.9 t -90.41 123.37 34.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.566 ' HD3' ' CD1' ' A' ' 105' ' ' TRP . 0.9 OUTLIER -72.42 129.93 39.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.416 ' CG1' ' C ' ' A' ' 78' ' ' ILE . 16.8 m -87.57 47.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 144.79 -138.13 7.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.46 94.14 3.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.293 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -128.72 156.02 44.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 28.6 p90 -94.62 111.37 23.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 107.988 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.572 ' CE3' HD22 ' A' ' 31' ' ' LEU . 21.8 m95 -96.38 81.05 3.23 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -78.37 0.02 27.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -166.38 170.94 12.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.557 HD13 ' CE3' ' A' ' 24' ' ' TRP . 5.3 mm -98.08 -53.93 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 50.1 mt -103.77 156.29 17.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -68.21 -16.53 64.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -77.4 -33.33 44.14 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.11 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.31 111.11 12.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.756 . . . . 0.0 110.331 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -46.48 161.65 0.27 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.252 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 127.18 10.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.042 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 24.0 pt -66.53 160.54 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -151.29 54.66 0.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -73.34 178.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.44 108.33 7.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 28.8 t -70.49 102.33 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.973 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -73.27 -161.86 6.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 75.81 3.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.788 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.44 164.94 30.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.54 136.51 53.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.964 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 53.55 101.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.747 . . . . 0.0 110.007 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -124.35 85.39 2.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.42 -102.22 2.89 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 t -78.36 110.95 13.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 p -101.32 160.8 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.73 111.27 0.2 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.47 156.38 30.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.5 mttp 61.89 150.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.479 ' C ' ' H ' ' A' ' 12' ' ' ASP . 33.9 m120 64.1 151.2 0.11 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 34.95 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 0.0 111.061 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.479 ' H ' ' C ' ' A' ' 10' ' ' ASN . 1.5 m-20 73.13 -60.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.1 p -64.1 87.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -68.07 152.0 46.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -69.06 121.45 16.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 141.45 46.76 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.84 116.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.503 ' CG2' ' CD ' ' A' ' 19' ' ' ARG . 2.8 m -126.44 -172.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.503 ' CD ' ' CG2' ' A' ' 18' ' ' VAL . 0.0 OUTLIER 37.78 -137.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER 77.01 52.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.586 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 29.8 t30 87.05 -4.26 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.586 ' CD2' ' HB3' ' A' ' 21' ' ' ASN . 18.3 p90 173.66 131.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.09 142.28 28.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.548 ' CE3' HD11 ' A' ' 108' ' ' ILE . 14.4 p-90 -145.27 160.19 41.87 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 92.3 p -153.91 177.79 10.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.993 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.7 116.95 6.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -132.82 132.39 42.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.402 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER 67.75 -66.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.1 OUTLIER 175.45 62.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 110.392 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -157.98 -179.24 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.509 HD21 ' CE3' ' A' ' 105' ' ' TRP . 1.1 mp -136.73 101.15 4.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.76 104.79 16.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -117.48 123.07 71.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.418 ' CG ' HD21 ' A' ' 94' ' ' LEU . 3.3 mtm180 -114.93 128.76 56.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.476 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 57.3 t -102.85 130.87 22.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 136.67 20.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.4 m -120.87 159.07 50.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.0 177.3 8.78 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.798 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.41 11.59 10.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.464 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 3.2 p-80 -112.42 -3.59 14.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.55 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.422 HG21 ' CD2' ' A' ' 40' ' ' HIS . 15.6 t -101.93 108.96 24.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.417 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 15.4 m -132.45 -41.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -76.39 143.11 40.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.34 2.56 61.63 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -94.31 -12.53 27.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -94.2 24.74 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -151.07 138.96 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.64 131.15 56.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.572 HG23 ' CE3' ' A' ' 85' ' ' TRP . 45.8 t -126.3 138.02 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.4 ' HB1' ' CB ' ' A' ' 57' ' ' ARG . . . -128.14 114.89 17.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.3 mt -116.96 122.31 43.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.49 ' O ' ' CG2' ' A' ' 80' ' ' THR . 13.8 m -125.95 -63.0 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.971 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 52' ' ' SER . 19.4 t 172.69 -51.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 74' ' ' LEU . 0.1 OUTLIER -119.85 27.66 8.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 110.027 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.14 153.24 32.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.99 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.538 ' CD1' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -148.14 151.8 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.538 ' N ' ' CD1' ' A' ' 56' ' ' ILE . 9.1 ttt180 -139.08 134.59 33.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.503 ' CG2' ' CD1' ' A' ' 56' ' ' ILE . 20.0 t -139.33 103.32 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -127.24 163.54 23.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.474 ' HG2' ' CG ' ' A' ' 69' ' ' LEU . 1.4 ptm -142.32 136.5 29.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.412 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 15.2 mt -72.61 130.28 40.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -95.33 -69.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -165.9 -66.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -89.11 -11.95 42.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.11 -133.96 1.59 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.412 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -157.77 178.51 10.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 110.31 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -142.62 141.11 31.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 91.0 t -91.43 99.39 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.474 ' CG ' ' HG2' ' A' ' 60' ' ' MET . 31.0 mt -61.88 -53.02 61.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.462 ' CE ' HG23 ' A' ' 108' ' ' ILE . 19.2 ttt -141.8 140.96 33.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.451 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 14.5 tm-20 -170.68 150.16 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.451 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 151.36 155.67 7.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -69.57 123.05 20.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 54' ' ' SER . 15.7 mt -61.35 166.94 3.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.6 p -78.06 -42.37 32.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 38.4 m80 -130.15 169.56 15.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.567 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -77.72 166.65 22.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.9 pp -142.41 -175.69 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' THR . 22.1 m-20 -109.98 77.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 52' ' ' SER . 73.6 p -38.59 -39.09 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.354 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -57.72 -53.92 52.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 61.0 m -72.86 -19.48 61.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 110.038 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.6 m -83.81 139.74 32.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 1.0 OUTLIER -127.38 179.33 5.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.329 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.572 ' CE3' HG23 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -160.75 126.09 3.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 108.033 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.93 158.87 40.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.81 141.96 47.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -123.18 134.78 25.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.96 122.12 7.02 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.32 46.34 72.23 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.475 1.11 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.21 -103.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -163.61 174.75 11.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 108.276 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' VAL . 91.1 t -99.74 128.9 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.488 ' CD1' ' ND2' ' A' ' 96' ' ' ASN . 1.9 tm? -97.62 138.43 35.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.3 t -146.6 127.28 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.488 ' ND2' ' CD1' ' A' ' 94' ' ' LEU . 2.6 m-80 -111.04 125.05 53.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.3 mt -112.87 111.8 22.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.61 102.48 14.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -49.95 146.6 4.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 16.0 m -90.06 44.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.53 -137.83 7.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.22 94.49 4.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 0.737 . . . . 0.0 110.26 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -128.36 155.71 44.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 19.4 t-105 -98.42 104.06 16.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 108.021 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.509 ' CE3' HD21 ' A' ' 31' ' ' LEU . 8.8 m95 -82.28 98.4 8.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 108.017 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -69.9 -16.11 63.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -168.31 171.85 8.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.548 HD11 ' CE3' ' A' ' 24' ' ' TRP . 20.0 mm -85.33 -60.26 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.3 mt -100.73 175.16 5.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.57 -12.15 40.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -74.88 -29.42 61.02 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -163.39 0.12 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 0.759 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -122.08 154.33 61.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 112.42 3.56 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 117' ' ' ILE . 20.4 pt -52.69 177.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 117' ' ' ILE . 10.4 m-20 -68.15 70.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 115' ' ' ILE . 7.8 mt -39.99 148.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -45.06 -57.46 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.02 85.59 2.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -174.89 -158.45 18.94 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.498 1.123 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.07 17.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 57.6 m -134.16 169.8 16.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.982 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.18 124.16 19.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.996 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.1 t30 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 37.9 p90 -165.3 126.15 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.8 m -86.45 157.12 19.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.434 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.592 ' CE3' HD11 ' A' ' 108' ' ' ILE . 7.0 p-90 -162.75 163.99 26.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.167 . . . . 0.0 107.967 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.2 p -151.14 156.93 42.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.043 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' A' ' 105' ' ' TRP . 14.8 tt0 -110.4 133.09 53.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -126.05 -178.99 4.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -38.47 -75.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.5 p -135.39 68.62 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.41 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 2.8 p-10 166.37 147.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.528 HD23 ' HZ3' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -120.32 155.95 32.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -137.57 116.23 12.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -119.13 127.99 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.447 ' HG3' HD22 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -115.97 126.21 53.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.571 HG21 HG11 ' A' ' 58' ' ' VAL . 39.7 t -111.59 129.97 23.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.5 Cg_endo -74.97 140.65 25.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.527 1.804 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.408 HG11 HG23 ' A' ' 93' ' ' VAL . 30.1 m -125.68 158.75 63.94 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.479 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.99 177.22 8.88 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.498 1.789 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.77 12.08 9.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.479 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 5.1 p-80 -114.29 -2.39 13.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.621 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.477 HG23 ' HG2' ' A' ' 38' ' ' PRO . 16.6 t -104.08 110.9 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.475 HG12 ' CB ' ' A' ' 89' ' ' PRO . 16.9 m -129.67 -41.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.53 148.51 29.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.14 -14.53 82.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -77.1 -13.58 59.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -82.65 -14.08 55.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -123.75 150.93 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.38 130.84 56.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.671 HG21 ' CE3' ' A' ' 85' ' ' TRP . 55.3 t -131.58 107.44 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.551 ' HB3' ' HB2' ' A' ' 57' ' ' ARG . . . -104.81 124.19 49.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.2 mt -123.81 125.68 45.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.611 ' O ' HG21 ' A' ' 80' ' ' THR . 41.1 m -127.34 -64.82 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.953 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 52' ' ' SER . 98.0 p 178.31 -54.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.9 33.01 5.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.86 147.04 23.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 1.015 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -140.71 151.24 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.137 . . . . 0.0 109.336 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 1.015 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -139.9 131.14 26.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.649 HG23 ' CD1' ' A' ' 56' ' ' ILE . 14.3 t -139.46 105.99 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.55 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -131.88 159.85 37.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.5 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -140.73 143.16 34.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.984 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.5 ' O ' ' CE ' ' A' ' 60' ' ' MET . 12.5 mt -77.82 130.8 37.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -93.54 -67.46 0.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -166.42 -65.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -94.88 -6.74 42.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.27 -134.62 1.68 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.477 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 2.0 pm0 -159.74 178.63 9.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 110.272 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.92 142.95 30.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.7 t -90.93 97.14 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.486 HD21 ' HG2' ' A' ' 60' ' ' MET . 42.1 mt -61.34 -56.07 24.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.495 ' HE3' HG21 ' A' ' 108' ' ' ILE . 18.1 ttt -139.81 131.2 26.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.449 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 10.2 tm-20 -163.05 153.99 16.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.741 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 147.38 158.02 7.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -68.03 130.14 42.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.7 mt -66.7 164.78 16.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 108' ' ' ILE . 23.3 p -67.54 -46.26 73.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 110.368 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -134.94 -168.84 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.602 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -90.89 164.99 13.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.493 ' HA ' HG13 ' A' ' 100' ' ' VAL . 2.0 pp -142.05 -172.83 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -113.64 75.87 0.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.611 HG21 ' O ' ' A' ' 52' ' ' SER . 70.9 p -38.88 -40.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.44 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -55.72 -54.13 48.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.29 -27.92 62.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.04 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.0 m -71.02 156.31 39.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -147.94 179.56 7.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.695 ' HB2' HG22 ' A' ' 95' ' ' VAL . 1.6 p-90 -164.55 132.36 3.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 107.985 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.4 m -127.72 134.37 49.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.817 HD22 ' N ' ' A' ' 88' ' ' GLU . 1.1 tm? -98.33 138.74 35.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.817 ' N ' HD22 ' A' ' 87' ' ' LEU . 2.3 mt-10 -118.5 132.51 23.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.475 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.95 124.7 8.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.442 1.759 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.6 46.55 88.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -148.85 -100.27 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -163.76 173.36 12.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.289 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.803 HG22 HD23 ' A' ' 87' ' ' LEU . 46.5 t -100.43 140.62 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.717 HD13 ' N ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -114.53 130.15 56.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.717 ' N ' HD13 ' A' ' 94' ' ' LEU . 74.1 t -134.6 120.78 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -104.06 125.0 50.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.2 mt -108.12 127.41 53.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.94 114.06 27.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.572 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 27.5 mttt -62.91 146.28 53.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.493 HG13 ' HA ' ' A' ' 78' ' ' ILE . 28.3 m -97.68 41.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 139.02 -159.91 25.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -96.31 94.77 7.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -128.42 155.75 44.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 29.7 t-105 -103.28 103.1 13.09 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.129 . . . . 0.0 108.0 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.572 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 11.8 m95 -83.59 92.93 7.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 107.976 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -72.69 -12.83 61.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.631 ' O ' HG21 ' A' ' 75' ' ' THR . . . -164.27 175.65 9.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.66 ' O ' HG23 ' A' ' 75' ' ' THR . 8.2 mm -92.24 -55.59 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.741 HD13 ' HA3' ' A' ' 72' ' ' GLY . 48.2 mt -99.2 160.53 14.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 27.0 p90 -163.5 131.06 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.9 m -88.07 151.95 22.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.383 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.528 ' CE3' HD11 ' A' ' 108' ' ' ILE . 8.6 p-90 -159.4 162.59 35.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 107.982 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 p -147.45 158.61 44.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -108.88 119.93 41.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 28' ' ' TYR . 1.4 m-20 -110.53 -179.04 3.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -37.42 -65.23 0.32 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -147.25 74.86 1.35 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 110.415 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 166.47 144.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.489 HD23 ' CZ3' ' A' ' 24' ' ' TRP . 2.7 mp -113.52 123.61 50.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.91 112.45 24.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -116.52 134.18 60.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.5 mtt85 -119.22 132.75 55.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.52 HG21 HG11 ' A' ' 58' ' ' VAL . 5.2 t -115.8 127.53 26.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.181 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 141.34 26.52 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.455 1.766 . . . . 0.0 110.96 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.4 m -125.16 158.84 62.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.06 177.45 8.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.95 14.59 7.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.567 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 7.0 p-80 -115.77 -3.85 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.601 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.496 HG23 ' HG2' ' A' ' 38' ' ' PRO . 33.6 t -103.91 111.35 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.487 HG12 ' CB ' ' A' ' 89' ' ' PRO . 13.9 m -128.69 -41.22 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -77.68 162.1 27.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.354 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.67 -15.81 62.91 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -79.11 -14.73 58.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -84.64 2.08 43.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -141.99 127.65 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.51 128.39 46.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.504 HG21 ' CE3' ' A' ' 85' ' ' TRP . 37.9 t -130.78 122.83 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.545 ' HB3' ' HB3' ' A' ' 57' ' ' ARG . . . -112.19 106.62 15.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 51' ' ' LEU . 15.9 mt -88.13 116.92 26.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 55' ' ' SER . 0.8 OUTLIER -127.11 143.19 51.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.546 ' HA ' HG23 ' A' ' 80' ' ' THR . 1.8 m -51.63 -26.05 8.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.9 p -148.86 53.62 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.427 ' O ' ' CB ' ' A' ' 52' ' ' SER . 0.0 OUTLIER 173.49 134.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.025 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.978 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -128.94 154.64 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.978 ' N ' HD13 ' A' ' 56' ' ' ILE . 34.7 ttt180 -143.47 139.62 29.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.62 HG23 ' CD1' ' A' ' 56' ' ' ILE . 18.4 t -142.02 119.94 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.447 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -141.13 159.73 41.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.5 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -142.19 142.24 32.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.5 ' O ' ' CE ' ' A' ' 60' ' ' MET . 15.1 mt -75.84 133.45 40.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -102.87 -84.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -165.13 -45.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -116.9 20.34 13.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 146.18 127.54 1.87 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.477 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 1.4 pm0 -64.95 175.43 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 0.807 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 1.3 ttt85 -141.51 141.42 33.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.4 t -89.57 99.33 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.446 HD13 HG12 ' A' ' 35' ' ' VAL . 46.4 mt -61.83 -50.33 72.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.471 ' HE1' HG21 ' A' ' 108' ' ' ILE . 18.3 ttt -141.8 148.63 39.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.516 ' O ' HD13 ' A' ' 109' ' ' LEU . 8.6 tm-20 -177.59 160.85 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.5 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 141.05 161.82 8.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.81 129.62 34.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.536 HD23 HD23 ' A' ' 109' ' ' LEU . 29.7 mt -65.07 152.36 43.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.474 HG22 ' HA ' ' A' ' 110' ' ' GLU . 7.6 p -77.1 -5.7 49.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.525 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 14.0 m-70 -152.85 176.73 11.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.608 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.476 ' C ' HG23 ' A' ' 78' ' ' ILE . 11.0 mttt -85.51 170.68 12.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.506 HD11 HG22 ' A' ' 80' ' ' THR . 1.8 pp -155.32 162.0 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' THR . 4.8 t-20 -95.17 74.39 3.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.546 HG23 ' HA ' ' A' ' 53' ' ' SER . 74.6 p -37.6 -48.44 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -43.35 -54.74 4.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.254 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.8 m -71.04 -32.59 69.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 10.0 m -64.68 129.49 40.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.453 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.5 OUTLIER -116.21 178.83 4.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.752 ' HB2' HG22 ' A' ' 95' ' ' VAL . 0.7 OUTLIER -165.13 120.23 1.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 108.033 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.5 m -123.01 141.55 51.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.846 HD22 ' H ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -103.11 140.4 37.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.846 ' H ' HD22 ' A' ' 87' ' ' LEU . 8.5 mt-10 -120.41 133.81 24.06 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.487 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.1 Cg_endo -75.05 123.97 8.25 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.39 45.62 82.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.22 -102.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.4 p -163.65 177.33 8.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 108.318 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.526 HG22 HD23 ' A' ' 87' ' ' LEU . 74.7 t -105.24 137.37 35.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.662 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.6 tm? -113.64 129.14 56.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.752 HG22 ' HB2' ' A' ' 85' ' ' TRP . 81.7 t -136.6 139.8 44.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.453 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 2.7 m120 -119.62 116.52 26.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.1 mt -97.03 112.35 24.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.0 t -70.48 139.82 51.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -82.81 131.58 35.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 100' ' ' VAL . 16.7 t -112.61 93.73 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 77.43 148.72 3.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.13 93.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 0.0 110.321 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -129.33 153.05 48.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.514 ' O ' ' CD2' ' A' ' 76' ' ' HIS . 0.9 OUTLIER -81.14 124.16 29.02 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.525 ' CE2' ' HB2' ' A' ' 76' ' ' HIS . 7.2 m95 -102.01 -71.24 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 108.016 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 105' ' ' TRP . 2.2 t-20 80.2 -52.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -127.23 161.63 28.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.528 HD11 ' CE3' ' A' ' 24' ' ' TRP . 3.6 mm -76.72 -63.18 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.536 HD23 HD23 ' A' ' 74' ' ' LEU . 28.3 mt -97.64 163.73 12.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.474 ' HA ' HG22 ' A' ' 75' ' ' THR . 11.1 mt-10 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.516 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 2.3 t30 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.516 ' CD2' ' HB3' ' A' ' 21' ' ' ASN . 36.8 p90 -159.47 133.74 7.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -86.5 146.61 26.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.577 ' HZ3' HD23 ' A' ' 31' ' ' LEU . 12.7 p-90 -157.84 165.36 35.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.035 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.2 p -151.62 155.63 38.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.96 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -108.8 131.81 54.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -118.49 178.61 4.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -39.24 -59.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 t -149.63 67.11 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.414 ' N ' ' HE3' ' A' ' 99' ' ' LYS . 1.3 p-10 172.41 153.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.777 HD21 ' CB ' ' A' ' 105' ' ' TRP . 1.7 mp -124.23 156.79 36.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -146.69 107.95 4.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.96 123.22 68.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -113.1 124.3 52.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.475 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 47.3 t -105.62 133.15 20.32 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.02 137.54 21.8 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.516 1.798 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.545 ' CG1' HG23 ' A' ' 93' ' ' VAL . 32.4 m -123.93 158.52 59.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.571 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.07 178.0 7.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.439 1.757 . . . . 0.0 110.968 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -85.71 12.2 9.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.571 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 6.3 p-80 -113.82 -3.6 13.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.61 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.459 HG23 ' HG2' ' A' ' 38' ' ' PRO . 16.0 t -102.51 109.34 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.477 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 15.2 m -127.8 -41.3 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -81.07 153.41 27.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.47 -12.15 80.83 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -79.98 -13.44 59.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -84.37 -13.08 53.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -121.47 141.32 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -103.18 136.08 43.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.551 HG21 ' CD2' ' A' ' 85' ' ' TRP . 55.5 t -139.65 113.68 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.47 114.4 27.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.0 mt -113.99 123.49 49.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.578 ' O ' HG21 ' A' ' 80' ' ' THR . 2.6 m -123.36 -65.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 52' ' ' SER . 99.6 p 178.39 -55.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.161 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.1 30.63 6.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.503 ' N ' HD12 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -151.72 147.98 27.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.965 HD11 HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -140.9 150.55 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.528 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -143.78 125.57 15.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.965 HG23 HD11 ' A' ' 56' ' ' ILE . 99.3 t -133.76 121.96 41.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 47' ' ' VAL . . . -150.1 140.26 22.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.481 ' HG2' HD21 ' A' ' 69' ' ' LEU . 2.0 ptm -116.91 138.32 51.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.7 mt -66.3 139.19 58.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -103.57 -174.25 2.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.06 -19.59 61.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -150.86 49.88 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 144.11 -135.15 6.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -160.9 170.49 20.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.272 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 1.1 ttt180 -144.45 141.54 29.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.8 t -91.55 99.11 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.481 HD21 ' HG2' ' A' ' 60' ' ' MET . 25.2 mt -63.86 -51.67 63.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.486 ' SD ' ' CG ' ' A' ' 22' ' ' TYR . 19.8 ttt -138.38 142.21 39.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.455 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 10.9 tm-20 -171.97 154.71 3.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.466 ' O ' HD22 ' A' ' 109' ' ' LEU . . . 142.65 155.41 6.43 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -71.14 133.52 46.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.503 HD12 ' N ' ' A' ' 55' ' ' SER . 8.7 mt -70.2 164.35 24.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 108' ' ' ILE . 8.3 p -83.76 -19.9 34.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.428 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -143.66 179.45 7.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.596 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -95.86 172.48 7.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.556 ' HA ' HG13 ' A' ' 100' ' ' VAL . 1.9 pp -149.06 -171.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 82' ' ' SER . 11.8 t-20 -117.32 76.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.578 HG21 ' O ' ' A' ' 52' ' ' SER . 57.3 p -37.96 -46.35 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.388 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -53.67 -51.55 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 79' ' ' ASN . 0.7 OUTLIER -74.09 -27.33 60.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.9 m -75.36 163.77 27.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -155.09 179.25 9.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.779 ' HB2' HG22 ' A' ' 95' ' ' VAL . 5.8 p-90 -163.81 124.37 2.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 107.993 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.0 p -115.76 136.78 52.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.911 HD23 HG22 ' A' ' 93' ' ' VAL . 1.2 tm? -99.52 139.69 34.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.823 ' H ' HD22 ' A' ' 87' ' ' LEU . 1.8 mm-40 -119.47 133.28 23.8 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.477 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.2 Cg_endo -74.99 125.92 9.64 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.49 54.14 36.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.46 -97.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -162.14 177.49 9.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.316 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.911 HG22 HD23 ' A' ' 87' ' ' LEU . 55.5 t -104.23 133.66 47.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.69 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.4 tm? -103.09 129.96 50.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.779 HG22 ' HB2' ' A' ' 85' ' ' TRP . 74.7 t -135.92 107.77 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -93.21 130.2 38.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.0 mt -113.94 129.86 56.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.23 109.17 20.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.006 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.536 ' HE2' HD11 ' A' ' 31' ' ' LEU . 78.4 mttt -57.49 152.61 14.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.556 HG13 ' HA ' ' A' ' 78' ' ' ILE . 33.5 m -102.68 44.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.02 -175.72 19.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -75.58 93.96 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -129.07 156.1 44.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.068 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 16.9 p90 -103.36 120.1 40.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 107.99 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.777 ' CB ' HD21 ' A' ' 31' ' ' LEU . 22.0 m95 -105.09 95.08 5.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 108.017 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -100.65 10.59 40.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -178.28 133.02 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.568 ' O ' HG23 ' A' ' 75' ' ' THR . 3.4 mm -70.61 -60.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.466 HD22 ' O ' ' A' ' 72' ' ' GLY . 63.8 mt -97.73 166.3 11.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 39.2 p90 -158.35 127.95 5.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 p -86.7 155.02 20.54 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.523 ' CG ' HG13 ' A' ' 108' ' ' ILE . 16.6 p-90 -163.92 165.03 23.1 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.5 p -153.8 174.14 14.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -113.66 130.63 56.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.92 179.82 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -37.91 -52.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 29' ' ' THR . 3.4 t -158.51 68.69 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.386 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 172.82 158.61 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.475 HD22 ' CE3' ' A' ' 105' ' ' TRP . 2.7 mp -117.81 125.94 51.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.32 112.1 22.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -116.85 122.66 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.408 ' CG ' HD23 ' A' ' 94' ' ' LEU . 26.0 mtt180 -108.36 131.92 54.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.518 HG21 HG11 ' A' ' 58' ' ' VAL . 32.2 t -112.25 131.97 22.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.01 141.73 26.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.562 1.822 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.8 m -128.34 158.41 71.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -74.99 179.53 6.0 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.496 1.788 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.99 12.99 9.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.444 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 3.9 p-80 -115.66 -3.41 12.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.593 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.415 HG23 ' HG2' ' A' ' 38' ' ' PRO . 3.6 t -98.97 108.87 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.634 HG12 ' CB ' ' A' ' 89' ' ' PRO . 16.4 m -131.15 -41.26 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -82.31 133.74 35.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.63 -34.88 44.35 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -60.23 -15.42 24.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 0.745 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 40' ' ' HIS . 17.4 mt-30 -78.32 -7.31 57.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.466 ' CG2' ' HG ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -140.19 131.28 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m -97.25 144.66 26.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.029 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.961 HG21 ' CE3' ' A' ' 85' ' ' TRP . 3.2 t -138.59 115.21 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HB3' ' HB3' ' A' ' 57' ' ' ARG . . . -112.84 109.08 18.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.1 mt -109.01 128.45 54.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.676 ' O ' HG21 ' A' ' 80' ' ' THR . 4.1 m -124.8 -66.36 0.97 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 77' ' ' LYS . 26.6 t 173.91 -47.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 74' ' ' LEU . 83.3 p -122.77 31.91 5.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.2 t -158.89 172.65 17.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.99 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.845 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -165.75 155.18 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.845 ' N ' HD13 ' A' ' 56' ' ' ILE . 11.0 ttt180 -143.96 134.38 24.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.793 HG23 HD11 ' A' ' 56' ' ' ILE . 88.2 t -138.23 97.51 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 67' ' ' ARG . . . -122.68 130.94 53.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.64 ' HG2' HD21 ' A' ' 69' ' ' LEU . 1.6 ptm -108.08 135.97 48.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.453 ' O ' ' CE ' ' A' ' 60' ' ' MET . 7.6 mt -65.77 138.29 57.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -101.86 -174.2 2.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.19 -18.76 60.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -151.35 48.88 0.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 145.38 -137.24 6.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.22 166.33 27.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.783 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -141.06 140.14 34.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.3 t -88.18 99.63 9.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.64 HD21 ' HG2' ' A' ' 60' ' ' MET . 34.6 mt -62.59 -60.15 3.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.534 ' HE1' HG21 ' A' ' 108' ' ' ILE . 27.5 ttt -131.94 147.81 52.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -177.83 156.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 140.36 157.79 7.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -74.96 127.28 32.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.554 HD23 HD23 ' A' ' 109' ' ' LEU . 5.2 mt -66.94 173.85 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.3 p -83.89 -35.4 24.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.401 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.541 ' CD2' ' HB3' ' A' ' 103' ' ' TYR . 14.6 m-70 -130.54 171.86 12.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.606 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 53' ' ' SER . 14.6 mttp -80.83 173.14 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.407 ' CG2' ' CZ2' ' A' ' 105' ' ' TRP . 2.2 pp -151.85 166.64 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -95.24 80.24 3.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.676 HG21 ' O ' ' A' ' 52' ' ' SER . 29.6 p -42.47 -35.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.23 -51.15 71.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 37.0 m -75.74 -17.85 59.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 m -82.7 143.16 31.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.8 OUTLIER -138.19 179.26 6.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.961 ' CE3' HG21 ' A' ' 49' ' ' VAL . 4.0 p-90 -158.93 120.97 3.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 107.972 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.9 m -119.26 128.47 54.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.037 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.902 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -93.77 144.37 25.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.902 ' H ' HD22 ' A' ' 87' ' ' LEU . 1.6 mt-10 -123.58 135.57 26.28 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.634 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.03 121.43 6.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 58.05 55.51 30.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.097 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -157.74 -100.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -164.38 177.64 8.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 108.313 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.676 HG22 HD23 ' A' ' 87' ' ' LEU . 53.9 t -104.55 136.03 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.422 HD13 ' N ' ' A' ' 95' ' ' VAL . 2.2 tm? -111.08 132.44 54.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.847 HG22 ' HB2' ' A' ' 85' ' ' TRP . 53.4 t -136.98 141.24 41.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.455 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 4.9 m120 -118.46 113.84 21.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.5 mt -98.06 118.02 33.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.7 142.78 33.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 110.038 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -82.02 137.06 35.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 100' ' ' VAL . 5.1 t -119.48 95.1 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.22 -179.99 50.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -85.08 94.47 8.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.541 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 51.6 m-85 -128.86 155.78 44.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 20.0 p90 -103.72 103.39 13.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.475 ' CE3' HD22 ' A' ' 31' ' ' LEU . 34.9 m95 -80.65 86.43 5.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 108.01 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' A' ' 107' ' ' ALA . 12.1 p30 -91.11 5.33 49.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 106' ' ' ASN . . . 177.46 133.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.534 HG21 ' HE1' ' A' ' 70' ' ' MET . 5.5 mm -56.97 -51.96 61.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.554 HD23 HD23 ' A' ' 74' ' ' LEU . 68.4 mt -105.82 166.95 10.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 31.0 p90 -149.44 129.84 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 m -87.22 149.81 24.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.628 ' CE3' HD11 ' A' ' 108' ' ' ILE . 21.8 p-90 -155.39 168.62 26.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 108.009 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.8 m -153.44 166.72 31.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.042 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -119.35 122.05 40.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -108.09 178.15 4.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -39.84 -55.78 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.4 71.91 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 169.46 159.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.622 HD11 ' HE2' ' A' ' 99' ' ' LYS . 2.7 mp -123.93 143.19 50.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -132.54 109.12 9.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -122.05 126.69 74.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -118.09 130.02 55.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.631 HG21 HG11 ' A' ' 58' ' ' VAL . 41.1 t -106.0 131.63 21.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.99 138.38 22.99 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.407 ' CG1' HG23 ' A' ' 93' ' ' VAL . 33.1 m -122.99 158.75 56.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.556 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.05 176.93 9.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -84.26 9.45 12.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.556 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 4.4 p-80 -109.57 -3.84 16.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.6 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.418 HG23 ' HG2' ' A' ' 38' ' ' PRO . 16.0 t -102.01 110.54 29.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.631 HG12 ' CB ' ' A' ' 89' ' ' PRO . 16.3 m -134.28 -41.17 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -78.68 147.52 33.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.1 0.6 58.47 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.21 -11.04 36.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -94.96 24.94 4.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.493 HG21 ' HG ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -155.83 140.37 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.11 130.36 55.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.641 HG21 ' CE3' ' A' ' 85' ' ' TRP . 42.8 t -129.8 138.54 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.26 109.39 10.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.0 mt -107.76 123.6 48.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.631 ' O ' HG21 ' A' ' 80' ' ' THR . 3.2 m -124.2 -67.2 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 52' ' ' SER . 79.9 p 176.76 -52.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 74' ' ' LEU . 47.2 p -120.38 27.58 8.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.996 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.82 153.97 40.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.039 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.918 HD11 HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -147.54 146.56 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.729 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.4 OUTLIER -142.97 130.51 21.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.918 HG23 HD11 ' A' ' 56' ' ' ILE . 58.1 t -136.53 113.4 13.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 67' ' ' ARG . . . -135.27 162.9 31.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.407 ' HG2' ' CG ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -142.13 135.0 28.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.589 1.181 . . . . 0.0 110.977 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 12.5 mt -69.97 130.76 43.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -97.26 -67.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -166.58 -68.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -89.81 -5.44 56.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -166.06 -134.78 1.73 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.446 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -157.16 177.41 11.52 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 0.737 . . . . 0.0 110.285 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 14.8 ttt180 -140.86 137.69 33.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.1 t -90.02 99.17 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.363 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.409 HD13 HG12 ' A' ' 35' ' ' VAL . 29.4 mt -62.66 -55.74 24.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 58' ' ' VAL . 21.0 ttt -134.66 143.46 47.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 10.8 tm-20 -171.51 154.99 3.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.659 ' O ' HD22 ' A' ' 109' ' ' LEU . . . 145.08 151.73 5.48 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -68.85 132.0 46.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.252 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 54' ' ' SER . 13.9 mt -67.73 160.91 27.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 108' ' ' ILE . 7.9 p -76.21 -26.35 56.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.428 ' CE1' ' HG1' ' A' ' 75' ' ' THR . 18.4 m80 -141.89 -174.14 4.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.629 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -94.96 163.7 13.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.0 pp -138.61 -175.12 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -110.07 85.74 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.631 HG21 ' O ' ' A' ' 52' ' ' SER . 9.7 p -51.27 -21.1 1.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.384 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -73.54 -51.05 18.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.65 -23.75 45.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.2 m -76.43 143.3 40.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.943 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.446 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.6 OUTLIER -132.3 179.35 6.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.641 ' CE3' HG21 ' A' ' 49' ' ' VAL . 1.1 p-90 -159.8 121.53 3.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 0.0 107.97 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 m -124.2 159.12 30.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.848 HD22 ' H ' ' A' ' 88' ' ' GLU . 1.1 tm? -119.73 141.78 49.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.848 ' H ' HD22 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -123.67 135.52 26.26 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.631 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.99 123.77 8.14 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.47 1.774 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.37 59.41 9.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.433 1.083 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -159.54 -99.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -164.52 177.67 7.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 108.301 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.484 HG22 HD23 ' A' ' 87' ' ' LEU . 44.4 t -104.85 130.87 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.681 HD13 ' N ' ' A' ' 95' ' ' VAL . 2.0 tm? -98.61 138.12 36.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.681 ' N ' HD13 ' A' ' 94' ' ' LEU . 89.3 t -147.85 128.16 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.492 ' O ' HD23 ' A' ' 97' ' ' LEU . 4.1 m120 -110.92 130.2 55.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 96' ' ' ASN . 16.2 mt -116.82 115.17 25.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.89 140.11 31.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.622 ' HE2' HD11 ' A' ' 31' ' ' LEU . 44.9 mttt -87.89 131.7 34.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.7 m -92.07 40.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 144.12 -179.24 21.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -86.4 94.27 9.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 110.317 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -128.87 155.9 44.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.978 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.425 ' CG ' ' O ' ' A' ' 104' ' ' TRP . 20.8 p90 -103.54 93.06 4.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 107.993 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.494 ' CB ' HD21 ' A' ' 31' ' ' LEU . 18.7 m95 -66.71 86.07 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -61.97 -15.63 45.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -171.28 163.72 7.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.628 HD11 ' CE3' ' A' ' 24' ' ' TRP . 4.6 mm -78.17 -60.04 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.659 HD22 ' O ' ' A' ' 72' ' ' GLY . 43.0 mt -101.13 171.06 7.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 69' ' ' LEU . 10.5 t30 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 29.2 p90 -147.31 131.31 17.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.6 m -86.47 159.02 19.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.383 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.521 ' CG ' HG13 ' A' ' 108' ' ' ILE . 3.2 p-90 -162.03 160.84 28.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 107.95 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.448 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 5.4 p -153.93 158.67 41.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -110.63 131.94 54.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -115.85 -179.35 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -39.59 -52.26 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.54 ' O ' HG23 ' A' ' 29' ' ' THR . 6.4 t -154.93 68.9 0.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 167.86 171.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.522 HD21 ' CG ' ' A' ' 105' ' ' TRP . 0.3 OUTLIER -131.44 158.03 41.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -139.01 101.45 4.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.445 HG13 ' HB ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -110.18 116.64 52.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 49.5 mtm-85 -109.58 124.5 51.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 73.7 t -106.1 131.13 21.99 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.93 135.58 19.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.771 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.531 ' CG1' HG23 ' A' ' 93' ' ' VAL . 32.5 m -120.21 159.13 48.73 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.56 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.98 176.09 10.37 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -84.31 8.45 16.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.56 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 3.3 p-80 -106.6 -4.41 19.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.583 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.534 HG23 ' CD2' ' A' ' 40' ' ' HIS . 37.7 t -104.28 110.84 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.522 HG12 ' CB ' ' A' ' 89' ' ' PRO . 30.8 m -136.77 15.66 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -139.67 158.94 43.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.15 -22.96 46.55 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 ptmm? -72.11 -16.54 62.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 0.793 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 61' ' ' LEU . 5.8 mt-30 -81.51 -16.43 51.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -119.44 152.08 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.21 124.89 53.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.82 HG21 ' CD2' ' A' ' 85' ' ' TRP . 70.0 t -121.17 106.62 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.848 ' HB3' ' HB2' ' A' ' 57' ' ' ARG . . . -107.27 114.48 28.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.2 mt -118.27 140.37 49.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.605 ' O ' HG21 ' A' ' 80' ' ' THR . 27.9 m -132.4 -65.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.011 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 76.8 p 176.69 -51.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.039 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.0 p -117.1 33.12 5.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.0 t -162.94 174.84 11.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.684 ' CD1' HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -165.1 154.42 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.848 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -135.95 133.45 37.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.684 HG23 ' CD1' ' A' ' 56' ' ' ILE . 63.4 t -138.24 108.54 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.46 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -135.15 156.62 48.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.425 ' HE1' ' CE1' ' A' ' 40' ' ' HIS . 0.9 OUTLIER -137.14 141.38 42.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.51 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 7.4 mt -65.55 130.0 41.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.28 -172.87 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.54 -0.06 56.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 64' ' ' ASN . 11.5 p-10 -158.15 57.01 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.7 121.22 2.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.51 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 2.3 pm0 -44.0 165.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 12.6 ttt180 -132.99 136.17 45.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.521 HG21 ' NH1' ' A' ' 57' ' ' ARG . 71.5 t -82.53 99.94 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.453 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 30.5 mt -65.14 -50.73 64.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.407 ' O ' ' N ' ' A' ' 58' ' ' VAL . 19.0 ttt -139.91 139.66 36.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.451 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 12.3 tm-20 -172.44 148.92 2.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 0.0 110.33 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.457 ' O ' HD22 ' A' ' 109' ' ' LEU . . . 147.54 155.39 6.57 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.03 136.09 56.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 0.794 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.519 HD23 HD23 ' A' ' 109' ' ' LEU . 14.9 mt -76.66 175.83 8.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 108' ' ' ILE . 81.5 p -81.32 -40.95 22.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -130.34 -178.38 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.616 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -89.36 168.15 12.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 80' ' ' THR . 2.0 pp -145.75 -178.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -111.18 77.03 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.605 HG21 ' O ' ' A' ' 52' ' ' SER . 68.2 p -38.03 -47.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -54.25 -51.78 63.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -22.77 61.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.08 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.7 m -78.3 164.51 24.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.5 OUTLIER -147.94 179.45 7.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.82 ' CD2' HG21 ' A' ' 49' ' ' VAL . 3.0 p-90 -163.51 121.65 1.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 108.024 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -114.68 152.83 31.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.92 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -117.34 146.36 43.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.352 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.92 ' H ' HD22 ' A' ' 87' ' ' LEU . 7.1 mt-10 -127.46 135.78 27.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.522 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.95 120.62 6.16 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 57.03 46.77 91.11 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.528 1.143 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -145.31 -99.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -163.54 176.85 9.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 108.331 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.544 HG22 HD23 ' A' ' 87' ' ' LEU . 98.6 t -106.53 134.43 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.791 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.0 OUTLIER -104.07 128.5 51.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.791 ' N ' HD13 ' A' ' 94' ' ' LEU . 61.0 t -130.67 105.39 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.447 ' ND2' HD11 ' A' ' 94' ' ' LEU . 34.7 m120 -89.82 122.71 33.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.1 mt -107.36 125.74 51.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -103.0 105.54 15.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -60.06 143.53 51.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.4 m -90.06 45.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 136.64 172.4 12.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 111.047 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -69.67 94.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -129.08 156.0 44.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.41 ' O ' ' CG ' ' A' ' 104' ' ' TRP . 12.9 p90 -109.48 108.07 18.42 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.522 ' CG ' HD21 ' A' ' 31' ' ' LEU . 9.1 m95 -84.8 90.6 7.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 108.01 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -61.83 -14.73 36.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -169.43 163.46 10.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.521 HG13 ' CG ' ' A' ' 24' ' ' TRP . 10.8 mm -80.25 -60.46 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.519 HD23 HD23 ' A' ' 74' ' ' LEU . 56.0 mt -101.08 168.17 9.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.1 t30 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 42.4 p90 -161.86 127.46 3.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 p -86.49 151.78 23.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.643 ' CE3' HD11 ' A' ' 108' ' ' ILE . 10.9 p-90 -158.36 168.94 25.62 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.4 m -153.78 153.15 31.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.031 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.4 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 36.0 tt0 -108.3 129.33 55.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -132.74 178.63 6.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.465 ' C ' HG23 ' A' ' 29' ' ' THR . 1.0 OUTLIER -95.12 44.82 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.465 HG23 ' C ' ' A' ' 28' ' ' TYR . 37.7 p -154.19 -56.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.367 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -164.22 171.03 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mp -96.17 130.96 43.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.54 117.72 31.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -128.02 132.88 68.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.418 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 11.8 mtp85 -125.95 134.06 51.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.584 HG12 HD13 ' A' ' 69' ' ' LEU . 38.7 t -111.98 135.45 21.26 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.01 140.46 25.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.55 HG11 HG23 ' A' ' 93' ' ' VAL . 29.1 m -126.92 158.66 67.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.475 ' HG2' HG23 ' A' ' 41' ' ' VAL . 18.4 Cg_endo -74.94 177.28 8.77 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.468 1.772 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt -86.26 13.0 8.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.449 ' O ' ' NE2' ' A' ' 46' ' ' GLN . 3.5 p-80 -114.42 -3.0 13.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.626 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.475 HG23 ' HG2' ' A' ' 38' ' ' PRO . 21.1 t -103.26 112.38 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.522 HG12 ' CB ' ' A' ' 89' ' ' PRO . 18.9 m -131.37 -41.63 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.18 154.1 33.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.74 -16.8 76.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.65 -15.38 59.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 40' ' ' HIS . 7.0 mt-30 -79.43 -3.34 46.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.475 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -137.93 148.03 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.5 m -111.51 140.86 45.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.833 HG21 ' CD2' ' A' ' 85' ' ' TRP . 74.6 t -137.7 127.54 36.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.457 ' HB3' ' CB ' ' A' ' 57' ' ' ARG . . . -132.22 123.66 27.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.407 HD23 HG12 ' A' ' 56' ' ' ILE . 17.7 mt -123.18 134.79 54.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.672 ' O ' HG21 ' A' ' 80' ' ' THR . 16.0 m -126.59 -64.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.6 p 176.54 -53.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.17 33.93 5.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.5 t -163.52 174.14 12.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 1.016 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -165.08 157.15 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 1.016 ' N ' HD13 ' A' ' 56' ' ' ILE . 2.2 ttt180 -138.43 127.56 24.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.74 HG23 ' CD1' ' A' ' 56' ' ' ILE . 47.2 t -134.66 133.78 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.475 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -158.85 158.59 33.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.497 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -139.82 142.13 36.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.497 ' O ' ' CE ' ' A' ' 60' ' ' MET . 12.3 mt -74.7 128.62 36.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -93.07 -75.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.097 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.9 -68.12 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -89.11 -7.27 56.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -164.26 -134.75 1.7 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.468 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -154.94 -179.92 8.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.322 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -146.21 142.64 28.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 58' ' ' VAL . 88.4 t -92.43 97.73 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.584 HD13 HG12 ' A' ' 35' ' ' VAL . 51.1 mt -60.36 -52.6 64.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 20.4 ttt -138.21 145.26 41.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.453 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 10.4 tm-20 -177.98 154.43 0.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.453 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 139.39 160.81 8.49 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -71.5 136.19 47.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.629 HD23 HD23 ' A' ' 109' ' ' LEU . 17.0 mt -74.17 176.65 6.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.2 p -85.8 -30.87 22.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.483 ' NE2' ' CD1' ' A' ' 103' ' ' TYR . 1.6 m80 -139.54 -170.47 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.592 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -93.59 172.94 7.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.441 ' C ' ' CG2' ' A' ' 100' ' ' VAL . 2.3 pp -151.55 179.83 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 83' ' ' SER . 6.7 t-20 -108.54 81.11 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.672 HG21 ' O ' ' A' ' 52' ' ' SER . 69.5 p -46.06 -43.33 14.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -55.74 -51.7 66.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.33 -22.37 59.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 79' ' ' ASN . 17.1 m -73.56 162.03 29.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -152.98 179.34 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.833 ' CD2' HG21 ' A' ' 49' ' ' VAL . 3.5 p-90 -164.59 129.37 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 107.968 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.5 m -125.15 139.37 53.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.877 HD22 ' N ' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -103.07 140.07 37.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.877 ' N ' HD22 ' A' ' 87' ' ' LEU . 1.5 mt-10 -119.66 133.89 23.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.522 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.0 122.0 6.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 58.99 49.49 77.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.056 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.03 -97.71 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -163.35 176.86 9.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 108.326 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.829 HG22 HD23 ' A' ' 87' ' ' LEU . 50.0 t -103.6 131.51 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.733 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.5 tm? -99.76 129.02 45.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.733 ' N ' HD13 ' A' ' 94' ' ' LEU . 78.1 t -136.33 113.23 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -99.99 120.91 40.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.2 mt -109.24 125.03 51.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.2 t -81.15 157.94 25.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -98.08 130.54 44.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.246 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.441 ' CG2' ' C ' ' A' ' 78' ' ' ILE . 3.3 t -110.48 99.82 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 69.98 154.22 1.04 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.7 93.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.483 ' CD1' ' NE2' ' A' ' 76' ' ' HIS . 18.5 m-85 -129.78 155.9 45.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.533 ' CE2' ' HB2' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -79.24 154.39 29.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 108.031 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.498 ' O ' ' CZ2' ' A' ' 104' ' ' TRP . 9.2 m95 -135.32 -73.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 108.037 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.653 ' O ' ' HB2' ' A' ' 107' ' ' ALA . 4.4 m120 50.55 22.75 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.653 ' HB2' ' O ' ' A' ' 106' ' ' ASN . . . 165.18 142.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.643 HD11 ' CE3' ' A' ' 24' ' ' TRP . 2.8 mm -77.17 -59.26 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.629 HD23 HD23 ' A' ' 74' ' ' LEU . 69.5 mt -96.45 164.22 12.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.599 ' CD2' ' SD ' ' A' ' 70' ' ' MET . 41.0 p90 -124.8 132.28 53.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 m -87.24 149.78 24.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.655 ' CE3' HD11 ' A' ' 108' ' ' ILE . 23.7 p-90 -155.64 169.41 24.39 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 p -153.63 150.23 28.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.952 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -108.65 120.98 44.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -131.91 169.97 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.431 ' C ' HG23 ' A' ' 29' ' ' THR . 32.4 m-85 -87.67 45.92 1.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.431 HG23 ' C ' ' A' ' 28' ' ' TYR . 58.2 p -151.77 -50.21 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.374 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.3 p30 -172.69 177.39 2.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.432 HD21 ' CB ' ' A' ' 105' ' ' TRP . 3.2 mp -105.28 123.84 48.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -110.38 111.13 22.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.87 124.66 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 34' ' ' ARG . 8.4 mtm105 -118.19 134.25 55.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.541 HG21 HG11 ' A' ' 58' ' ' VAL . 57.5 t -111.11 133.49 21.3 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.01 139.96 24.85 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.55 1.816 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.478 ' CG1' HG23 ' A' ' 93' ' ' VAL . 28.7 m -125.05 158.55 62.83 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.537 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -74.98 177.65 8.3 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.527 1.804 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -86.14 12.09 10.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.537 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 6.9 p-80 -113.5 -3.0 13.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.621 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.472 HG23 ' HG2' ' A' ' 38' ' ' PRO . 24.5 t -104.21 112.44 37.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.514 HG12 ' CB ' ' A' ' 89' ' ' PRO . 18.6 m -132.22 -41.8 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -77.81 148.38 34.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.5 -11.29 85.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.82 -13.2 57.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.763 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -86.06 3.96 40.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -138.62 143.8 31.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.63 129.4 56.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.733 HG21 ' CE3' ' A' ' 85' ' ' TRP . 91.0 t -132.27 119.1 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -115.73 123.72 49.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 66.6 mt -125.81 132.78 52.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.666 ' O ' HG21 ' A' ' 80' ' ' THR . 58.4 m -133.67 -57.89 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.032 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 52' ' ' SER . 26.0 t 173.76 -51.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.934 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.1 p -123.17 39.11 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.411 ' N ' HD12 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -161.99 146.06 12.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.994 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -144.66 151.37 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.994 ' N ' HD13 ' A' ' 56' ' ' ILE . 3.5 ttt180 -142.08 136.24 29.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.644 HG23 ' CD1' ' A' ' 56' ' ' ILE . 15.0 t -140.65 100.57 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -125.16 158.34 34.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.473 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -138.06 143.75 40.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 12.9 mt -77.67 129.71 35.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -93.63 -71.86 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.21 -67.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.279 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -90.49 -7.7 52.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -162.98 -134.88 1.72 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -156.57 -177.45 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 0.799 . . . . 0.0 110.269 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -149.52 139.38 21.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.403 ' CG1' ' HB2' ' A' ' 71' ' ' GLU . 74.1 t -89.29 97.16 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.473 HD21 ' HG2' ' A' ' 60' ' ' MET . 43.8 mt -59.5 -59.23 5.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.599 ' SD ' ' CD2' ' A' ' 22' ' ' TYR . 18.5 ttt -133.08 131.79 40.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 9.2 tm-20 -161.33 153.06 19.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.809 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 149.22 150.34 5.2 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 110.95 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.87 126.05 28.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.744 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 108' ' ' ILE . 17.2 mt -60.99 158.11 14.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.4 p -72.19 -37.0 69.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -133.49 -174.68 3.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.596 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -90.41 171.86 9.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.411 ' C ' HG13 ' A' ' 100' ' ' VAL . 1.8 pp -146.67 -171.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -114.35 74.83 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.666 HG21 ' O ' ' A' ' 52' ' ' SER . 82.8 p -40.64 -38.64 0.92 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.435 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -58.51 -50.85 72.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.5 m -77.24 -22.75 51.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.9 m -74.81 159.04 32.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -151.4 179.45 8.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.733 ' CE3' HG21 ' A' ' 49' ' ' VAL . 3.7 p-90 -164.4 127.22 2.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 107.996 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.1 p -125.45 139.42 53.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.836 HD22 ' H ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -101.25 139.9 36.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.836 ' H ' HD22 ' A' ' 87' ' ' LEU . 3.4 mt-10 -119.23 133.4 23.74 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.514 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.03 124.75 8.84 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.02 45.88 85.92 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.08 -101.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -160.93 177.0 10.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 108.324 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.628 HG22 HD23 ' A' ' 87' ' ' LEU . 61.3 t -101.25 134.72 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.514 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.9 tm? -102.36 132.58 48.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.514 ' N ' HD13 ' A' ' 94' ' ' LEU . 93.4 t -139.08 124.99 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.446 ' O ' HD23 ' A' ' 97' ' ' LEU . 1.7 m120 -112.56 127.12 55.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 96' ' ' ASN . 16.2 mt -115.63 118.65 33.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.12 111.49 23.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.559 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 21.8 mttt -58.06 142.42 46.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.411 HG13 ' C ' ' A' ' 78' ' ' ILE . 18.5 m -88.75 44.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 128.23 175.23 14.0 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.4 94.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -128.51 155.87 44.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 16.6 t-105 -104.61 118.35 36.37 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.559 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 13.8 m95 -98.97 125.29 44.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 108.042 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -109.33 -1.59 18.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.432 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . . . -175.56 161.66 2.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.655 HD11 ' CE3' ' A' ' 24' ' ' TRP . 8.6 mm -85.96 -45.51 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.809 HD13 ' HA3' ' A' ' 72' ' ' GLY . 42.6 mt -113.28 162.1 16.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 25.9 p90 -165.22 131.96 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 m -86.92 148.99 25.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 110.45 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.517 ' CG ' HG13 ' A' ' 108' ' ' ILE . 16.1 p-90 -159.78 162.34 34.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 107.963 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 82.0 p -152.58 175.97 12.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -136.72 111.99 9.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -131.2 141.49 50.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 57.44 -83.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.7 t -167.08 53.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.42 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -154.0 164.86 37.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.49 HD21 ' HB3' ' A' ' 105' ' ' TRP . 1.8 mp -123.94 110.87 15.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.57 109.22 21.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.37 132.42 67.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.82 133.06 55.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.422 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 44.1 t -111.35 129.24 24.27 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 137.88 22.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.1 m -123.66 158.59 58.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.563 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -74.94 176.84 9.36 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.782 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -86.27 13.38 8.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.563 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 6.3 p-80 -113.73 -3.9 13.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.576 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.493 HG23 ' HG2' ' A' ' 38' ' ' PRO . 38.1 t -103.8 110.59 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.5 HG12 ' CB ' ' A' ' 89' ' ' PRO . 15.7 m -128.62 -40.7 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -79.23 156.13 28.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.8 -26.01 57.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -10.77 60.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -86.21 -2.29 58.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -139.53 134.01 38.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.6 124.23 41.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.713 HG21 ' CE3' ' A' ' 85' ' ' TRP . 77.1 t -127.32 116.21 43.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.47 ' HB3' ' CB ' ' A' ' 57' ' ' ARG . . . -114.86 108.22 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.6 mt -93.71 126.62 38.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.76 148.52 47.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 77' ' ' LYS . 1.6 m -51.22 -29.37 14.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.4 ' C ' ' OG ' ' A' ' 55' ' ' SER . 3.1 p -149.73 61.19 1.0 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.057 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.4 ' OG ' ' C ' ' A' ' 54' ' ' SER . 0.0 OUTLIER 168.63 138.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 1.036 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -135.84 148.91 27.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 1.036 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -136.74 129.37 30.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.74 HG23 ' CD1' ' A' ' 56' ' ' ILE . 88.1 t -132.68 133.16 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.424 ' O ' ' HA ' ' A' ' 47' ' ' VAL . . . -159.36 149.85 19.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.53 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -128.14 132.32 48.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.475 ' O ' ' CE ' ' A' ' 60' ' ' MET . 7.9 mt -62.52 138.09 58.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -107.16 -174.64 2.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -68.34 -33.92 75.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -135.94 57.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.75 -135.03 7.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.01 178.94 9.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -149.65 143.41 25.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.323 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 58' ' ' VAL . 57.3 t -94.41 98.49 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.173 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.53 HD21 ' HG2' ' A' ' 60' ' ' MET . 29.1 mt -62.88 -53.55 52.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.416 ' O ' ' N ' ' A' ' 58' ' ' VAL . 24.7 ttt -137.93 154.33 49.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.419 ' CG ' ' N ' ' A' ' 72' ' ' GLY . 45.3 tt0 170.68 154.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.419 ' N ' ' CG ' ' A' ' 71' ' ' GLU . . . 147.54 159.52 8.42 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.16 121.01 22.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.503 HD23 HD23 ' A' ' 109' ' ' LEU . 53.9 mt -57.94 164.45 2.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.4 p -73.27 -47.19 45.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -127.87 174.72 8.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.608 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 53' ' ' SER . 19.9 mmtt -70.37 169.01 14.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.535 HD12 ' N ' ' A' ' 79' ' ' ASN . 2.0 pp -145.88 -166.84 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.535 ' N ' HD12 ' A' ' 78' ' ' ILE . 3.3 t-20 -120.35 89.27 3.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.419 HG23 ' HA ' ' A' ' 53' ' ' SER . 38.7 p -62.32 -24.36 67.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -70.48 -52.52 21.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.8 m -74.81 -30.69 61.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.7 m -64.22 160.9 17.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.13 . . . . 0.0 109.966 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 1.1 pp -151.95 179.35 8.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.713 ' CE3' HG21 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -164.57 123.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.2 m -124.43 129.06 49.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 110.006 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.851 HD22 ' H ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -90.0 140.65 29.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.851 ' H ' HD22 ' A' ' 87' ' ' LEU . 1.4 mt-10 -121.08 134.16 24.33 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.5 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.98 122.87 7.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.32 55.14 31.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.23 -100.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.2 p -164.51 177.43 8.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 108.241 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.52 HG22 HD23 ' A' ' 87' ' ' LEU . 72.5 t -103.86 129.89 55.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.42 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.6 tm? -103.53 129.98 50.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.686 HG22 ' HB2' ' A' ' 85' ' ' TRP . 76.7 t -135.98 144.92 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.618 ' O ' HD23 ' A' ' 97' ' ' LEU . 4.0 m120 -125.53 129.59 50.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.618 HD23 ' O ' ' A' ' 96' ' ' ASN . 22.4 mt -121.32 122.93 40.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.52 99.06 10.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.563 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 8.8 ptpt -62.54 93.58 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.411 HG13 ' C ' ' A' ' 78' ' ' ILE . 18.1 m -44.73 145.2 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 56.9 -151.61 25.48 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.75 93.75 4.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' A' ' 103' ' ' TYR . 8.4 m-85 -129.27 144.15 51.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.603 ' O ' ' CE3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -73.93 128.88 36.68 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.563 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 17.0 m95 -112.25 87.73 2.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 107.993 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.576 ' O ' ' HB2' ' A' ' 107' ' ' ALA . 4.4 m-20 -95.16 23.76 5.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 106' ' ' ASN . . . 171.49 138.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.517 HG13 ' CG ' ' A' ' 24' ' ' TRP . 5.2 mm -72.18 -54.15 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.503 HD23 HD23 ' A' ' 74' ' ' LEU . 34.9 mt -102.39 163.66 12.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 110.324 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 69' ' ' LEU . 44.3 t30 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 30.2 p90 -154.45 130.48 10.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -87.09 154.77 20.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.42 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.486 ' CG ' HG13 ' A' ' 108' ' ' ILE . 16.3 p-90 -161.18 163.84 30.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 108.025 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.8 p -152.76 177.14 11.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -142.56 119.77 11.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -133.63 132.67 41.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.242 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 65.16 -70.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.7 OUTLIER -179.19 59.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.436 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -151.99 170.23 20.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mp -133.17 101.11 5.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.79 109.59 21.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.403 HG21 ' SD ' ' A' ' 70' ' ' MET . 0.2 OUTLIER -112.91 125.39 70.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -111.08 129.74 55.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.584 HG21 HG11 ' A' ' 58' ' ' VAL . 10.2 t -110.92 133.03 21.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -74.98 139.61 24.53 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.466 1.772 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.469 ' CG1' HG23 ' A' ' 93' ' ' VAL . 31.2 m -123.69 159.11 57.15 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.594 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.1 Cg_endo -75.07 176.54 9.79 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.481 1.779 . . . . 0.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -84.95 9.61 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.594 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 4.8 p-80 -108.98 -3.78 17.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.477 HG23 ' CD2' ' A' ' 40' ' ' HIS . 25.8 t -103.23 111.4 32.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.508 HG12 ' CB ' ' A' ' 89' ' ' PRO . 31.4 m -137.29 13.7 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -137.63 159.78 41.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -80.12 -34.27 30.36 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.561 1.163 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.5 -17.04 63.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.759 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -80.49 -11.85 59.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -131.95 131.33 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.43 120.54 33.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.848 HG11 ' CG ' ' A' ' 85' ' ' TRP . 39.4 t -125.11 114.83 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.527 ' HB3' ' HB3' ' A' ' 57' ' ' ARG . . . -114.22 109.17 17.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.2 mt -92.07 121.12 33.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.16 148.5 50.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.993 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -51.34 -28.69 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.992 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.3 p -150.21 58.35 0.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 170.59 138.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 1.003 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -135.63 148.98 28.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 1.003 ' N ' HD13 ' A' ' 56' ' ' ILE . 27.6 ttt180 -134.26 133.4 40.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.322 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.618 HG23 ' CD1' ' A' ' 56' ' ' ILE . 22.2 t -134.68 122.56 39.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.452 ' HB2' HG22 ' A' ' 68' ' ' VAL . . . -148.46 158.6 44.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.506 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -137.17 145.02 43.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.506 ' O ' ' CE ' ' A' ' 60' ' ' MET . 16.6 mt -78.04 128.77 34.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -93.09 -72.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -162.66 -67.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -87.7 -6.73 58.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -166.49 -133.94 1.61 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.469 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -156.04 175.13 14.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.737 . . . . 0.0 110.304 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -141.39 136.87 31.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.712 HG11 ' OE1' ' A' ' 71' ' ' GLU . 69.7 t -88.06 99.18 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.447 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 38.3 mt -61.51 -59.92 4.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.403 ' SD ' HG21 ' A' ' 33' ' ' VAL . 13.4 ttt -127.57 145.97 50.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.712 ' OE1' HG11 ' A' ' 68' ' ' VAL . 1.4 tt0 -173.09 155.01 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.662 ' O ' HD22 ' A' ' 109' ' ' LEU . . . 145.64 150.4 5.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -72.59 119.06 16.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 0.777 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.468 HD23 HD23 ' A' ' 109' ' ' LEU . 53.1 mt -48.59 170.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.4 p -86.89 -40.08 15.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.498 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 4.9 m-70 -125.86 174.33 8.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -80.08 156.66 26.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.465 HD11 HG22 ' A' ' 80' ' ' THR . 1.9 pp -134.54 -172.74 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -119.17 88.42 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.465 HG22 HD11 ' A' ' 78' ' ' ILE . 68.0 p -58.12 -16.61 13.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.404 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -76.47 -44.72 34.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.81 -18.45 27.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.049 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.3 m -74.37 160.09 31.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.985 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.3 OUTLIER -155.21 179.52 9.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.848 ' CG ' HG11 ' A' ' 49' ' ' VAL . 2.6 p-90 -162.26 137.06 6.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.01 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.1 m -127.4 153.7 45.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.992 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.922 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -116.28 146.48 42.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.922 ' H ' HD22 ' A' ' 87' ' ' LEU . 9.2 mt-10 -127.23 135.48 27.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.508 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.1 Cg_endo -75.05 119.18 5.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 58.27 49.33 77.01 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -149.13 -99.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.2 p -163.75 173.64 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.313 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.469 HG23 ' CG1' ' A' ' 37' ' ' VAL . 75.7 t -99.78 143.46 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.586 HD13 ' N ' ' A' ' 95' ' ' VAL . 2.4 tm? -111.12 132.19 54.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.586 ' N ' HD13 ' A' ' 94' ' ' LEU . 74.4 t -134.78 128.41 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.589 ' O ' HD23 ' A' ' 97' ' ' LEU . 2.1 m120 -113.2 126.96 56.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 96' ' ' ASN . 21.4 mt -120.58 119.31 32.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.94 117.82 33.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.513 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 24.3 mttt -61.65 141.84 57.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.403 HG13 ' HA ' ' A' ' 78' ' ' ILE . 24.6 m -94.51 45.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.02 -141.92 13.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -125.11 94.62 4.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -127.72 155.65 43.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -81.71 115.57 21.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 107.979 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.513 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 10.7 m95 -99.27 -70.25 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 107.969 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 105' ' ' TRP . 1.6 t30 79.56 -54.59 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -124.62 160.23 28.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.486 HG13 ' CG ' ' A' ' 24' ' ' TRP . 6.2 mm -77.05 -54.21 13.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.662 HD22 ' O ' ' A' ' 72' ' ' GLY . 30.1 mt -107.3 169.78 8.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.326 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 31.0 p90 -153.64 133.06 12.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.103 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.8 m -86.41 154.75 20.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.516 ' CG ' HG13 ' A' ' 108' ' ' ILE . 5.2 p-90 -159.26 161.9 36.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.0 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.0 m -150.84 158.25 43.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.967 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -112.24 126.69 55.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.365 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -113.81 176.32 5.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -37.3 -59.27 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -148.15 66.8 1.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.43 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.413 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 0.7 OUTLIER 172.47 167.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.578 HD11 ' HE3' ' A' ' 99' ' ' LYS . 0.7 OUTLIER -133.42 158.55 42.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -144.15 106.34 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.41 122.54 68.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 0.0 OUTLIER -111.31 132.21 54.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.459 HG21 HG11 ' A' ' 58' ' ' VAL . 3.4 t -113.27 127.51 26.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 136.59 20.59 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.9 m -120.41 158.51 50.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.547 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.1 Cg_endo -75.06 177.39 8.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 110.963 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.71 12.61 8.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.547 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 8.2 p-80 -114.7 -2.86 12.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.473 1.108 . . . . 0.0 109.61 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.458 HG23 ' HG2' ' A' ' 38' ' ' PRO . 17.4 t -103.89 111.06 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.524 HG12 ' CB ' ' A' ' 89' ' ' PRO . 15.5 m -130.78 -41.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.64 152.09 28.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.61 -7.74 87.78 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.448 1.093 . . . . 0.0 111.045 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -83.04 -13.45 55.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 0.769 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 61' ' ' LEU . 9.7 mt-30 -83.49 -21.9 32.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -114.79 149.57 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 109.309 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.08 134.13 55.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.664 HG21 ' CE3' ' A' ' 85' ' ' TRP . 55.6 t -133.16 130.83 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -126.94 123.42 37.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.8 mt -122.88 121.83 37.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.558 ' O ' HG21 ' A' ' 80' ' ' THR . 1.9 m -123.64 -65.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 52' ' ' SER . 93.1 p 177.64 -50.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.97 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.05 33.74 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.966 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.4 151.62 30.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.837 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -150.6 148.09 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.837 ' N ' HD13 ' A' ' 56' ' ' ILE . 2.7 ttt180 -143.81 133.72 24.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.701 HG23 HD11 ' A' ' 56' ' ' ILE . 43.1 t -137.08 107.38 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.498 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -128.47 159.36 35.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.464 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -139.93 144.96 37.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.464 ' O ' ' CE ' ' A' ' 60' ' ' MET . 8.2 mt -74.58 129.2 37.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -96.51 -62.53 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -168.38 -78.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.56 -11.77 59.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -157.05 -133.4 1.6 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.462 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 1.3 pm0 -156.94 175.91 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.423 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 26.7 ttp180 -138.45 147.15 42.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 79.8 t -97.88 97.18 5.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.8 mt -59.79 -59.24 5.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.513 ' SD ' ' CG ' ' A' ' 22' ' ' TYR . 24.5 ttt -131.41 144.66 51.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 111.051 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.448 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 12.6 tm-20 -172.51 151.95 2.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.807 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 151.09 153.34 6.13 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.115 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -74.68 114.48 13.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.41 HD23 HD23 ' A' ' 109' ' ' LEU . 18.4 mt -47.11 170.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.1 p -85.26 -38.77 18.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -131.2 173.86 10.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.618 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -82.08 161.89 22.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.9 pp -138.03 -171.24 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 80' ' ' THR . 16.5 t-20 -116.96 78.08 1.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.558 HG21 ' O ' ' A' ' 52' ' ' SER . 49.0 p -37.35 -43.48 0.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -53.65 -54.39 38.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.9 -31.19 67.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.9 m -71.94 136.45 46.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.476 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -122.58 178.96 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.717 ' HB2' HG22 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -164.87 122.44 1.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 108.044 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.7 m -129.71 130.82 45.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.903 HD22 ' N ' ' A' ' 88' ' ' GLU . 0.7 OUTLIER -90.65 141.52 28.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.903 ' N ' HD22 ' A' ' 87' ' ' LEU . 4.8 mt-10 -119.48 133.63 23.8 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.524 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.0 126.79 10.2 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.445 1.761 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 52.81 42.56 59.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -142.14 -104.59 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.4 p -164.08 177.03 8.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 108.278 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 35' ' ' VAL . 79.0 t -99.06 145.0 11.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.748 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.4 tm? -125.8 127.99 46.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.748 ' N ' HD13 ' A' ' 94' ' ' LEU . 74.4 t -136.36 140.84 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.474 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 2.5 m120 -117.1 123.69 47.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.4 mt -105.77 113.88 27.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.42 101.8 14.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.578 ' HE3' HD11 ' A' ' 31' ' ' LEU . 12.6 mttt -55.47 140.33 40.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 26.1 m -89.93 43.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 141.81 169.54 12.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -71.42 94.2 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -128.89 156.16 44.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.463 ' CG ' ' O ' ' A' ' 104' ' ' TRP . 17.4 p90 -105.46 93.41 4.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 107.999 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.544 ' CB ' HD21 ' A' ' 31' ' ' LEU . 9.4 m95 -69.52 88.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -55.8 -20.6 15.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.435 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . . . -161.49 -175.91 5.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.516 HG13 ' CG ' ' A' ' 24' ' ' TRP . 6.9 mm -97.18 -47.67 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.807 HD13 ' HA3' ' A' ' 72' ' ' GLY . 59.4 mt -109.21 174.02 6.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.477 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 7.9 t30 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.477 ' CD2' ' HB3' ' A' ' 21' ' ' ASN . 30.7 p90 -157.32 135.36 10.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -86.43 142.83 28.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.561 ' CZ2' ' HA ' ' A' ' 107' ' ' ALA . 19.0 p-90 -152.9 160.07 43.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 108.035 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.1 m -147.9 162.55 39.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -118.81 130.98 56.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -117.42 179.5 4.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -39.72 -59.0 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 111.05 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 29' ' ' THR . 6.8 t -151.05 75.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.377 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 165.97 142.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mp -113.9 152.6 30.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.443 ' OE2' HD21 ' A' ' 94' ' ' LEU . 2.1 tt0 -148.74 118.05 6.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.342 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -123.63 130.93 73.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.572 ' CZ ' HD23 ' A' ' 94' ' ' LEU . 36.9 mtt85 -114.62 131.71 56.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.574 HG21 HG11 ' A' ' 58' ' ' VAL . 56.8 t -113.21 131.68 22.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.03 141.53 26.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.956 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.543 HG11 HG23 ' A' ' 93' ' ' VAL . 28.4 m -126.52 158.43 67.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.498 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.06 177.08 9.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -84.78 10.05 12.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.498 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 4.1 p-80 -111.14 -3.21 15.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.605 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.443 HG23 ' HG2' ' A' ' 38' ' ' PRO . 13.5 t -102.83 111.25 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.561 HG12 ' CB ' ' A' ' 89' ' ' PRO . 22.2 m -133.47 -41.88 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -84.02 127.84 34.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -50.41 -29.56 17.09 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -13.09 43.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -80.31 -14.26 58.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.245 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -129.43 156.37 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -118.11 139.91 50.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.843 HG21 ' CE3' ' A' ' 85' ' ' TRP . 39.6 t -137.3 135.54 47.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.412 ' HB3' ' HB2' ' A' ' 57' ' ' ARG . . . -132.8 124.26 27.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.0 mt -123.72 117.26 24.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.613 ' O ' HG21 ' A' ' 80' ' ' THR . 0.1 OUTLIER -121.07 -64.09 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' ' 52' ' ' SER . 79.8 p 176.48 -52.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.033 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.84 36.15 4.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.4 147.33 20.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 1.013 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -142.98 150.83 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 1.013 ' N ' HD13 ' A' ' 56' ' ' ILE . 1.1 ttt180 -139.69 131.71 27.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.628 HG23 ' CD1' ' A' ' 56' ' ' ILE . 10.7 t -140.9 104.77 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.536 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -130.44 157.66 42.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.527 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -138.47 143.84 39.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.496 ' O ' ' CE ' ' A' ' 60' ' ' MET . 14.0 mt -77.37 132.33 38.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -95.86 -68.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -164.4 -67.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -92.21 -6.31 50.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -162.17 -135.12 1.76 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.474 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 1.7 pm0 -158.29 176.59 12.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 0.78 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -142.05 139.26 32.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.8 t -88.15 97.2 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.527 HD21 ' HG2' ' A' ' 60' ' ' MET . 43.1 mt -60.36 -55.42 33.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 58' ' ' VAL . 17.3 ttt -141.68 145.14 34.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 72' ' ' GLY . 59.3 tt0 -179.01 158.04 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.49 ' O ' HD22 ' A' ' 109' ' ' LEU . . . 142.36 157.22 7.07 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -65.64 126.93 29.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.2 mt -66.44 162.42 20.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 109' ' ' LEU . 44.4 p -71.33 -42.51 68.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.439 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.569 ' CD2' ' CD1' ' A' ' 103' ' ' TYR . 43.0 m80 -128.56 -176.11 3.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.591 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 53' ' ' SER . 37.4 mttt -88.59 170.63 10.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.413 ' CG2' ' CZ2' ' A' ' 105' ' ' TRP . 2.3 pp -150.42 164.99 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.364 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 82' ' ' SER . 1.2 t-20 -95.76 77.93 3.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.613 HG21 ' O ' ' A' ' 52' ' ' SER . 69.9 p -38.2 -34.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.419 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -56.67 -53.26 59.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 79' ' ' ASN . 5.2 m -74.37 -28.26 61.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.2 m -68.93 142.79 54.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -136.7 179.49 6.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.843 ' CE3' HG21 ' A' ' 49' ' ' VAL . 1.1 p-90 -165.19 127.23 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.6 p -129.86 129.24 43.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.855 HD23 HG22 ' A' ' 93' ' ' VAL . 0.9 OUTLIER -90.46 140.54 29.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.855 ' H ' HD22 ' A' ' 87' ' ' LEU . 1.4 mt-10 -119.57 133.43 23.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.26 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.561 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.98 122.61 7.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.459 1.768 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 57.16 48.96 75.83 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -151.36 -101.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -161.68 176.22 11.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 108.318 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.855 HG22 HD23 ' A' ' 87' ' ' LEU . 53.7 t -108.53 123.31 64.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.767 HD13 ' C ' ' A' ' 94' ' ' LEU . 1.5 tm? -98.39 127.74 44.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.649 HG22 ' HB2' ' A' ' 85' ' ' TRP . 69.7 t -131.66 116.77 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.04 128.64 44.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.2 mt -111.83 136.95 50.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.2 t -94.07 152.07 19.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.531 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 18.6 mttt -89.32 139.54 30.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.3 t -128.21 93.27 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.81 158.43 30.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -69.57 94.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.569 ' CD1' ' CD2' ' A' ' 76' ' ' HIS . 20.2 m-85 -128.58 155.39 45.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 26.2 p90 -100.43 99.16 9.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 108.032 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.531 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 31.9 m95 -74.17 83.56 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.013 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -73.91 -5.07 38.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.561 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . . . -177.23 -172.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.462 HD11 ' CE3' ' A' ' 24' ' ' TRP . 4.9 mm -100.94 -53.22 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.49 HD22 ' O ' ' A' ' 72' ' ' GLY . 78.2 mt -102.94 -177.11 3.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.269 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.7 t30 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.546 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 38.4 p90 -164.79 130.3 2.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.8 m -87.02 148.99 25.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.505 ' CD2' HG12 ' A' ' 108' ' ' ILE . 5.5 p-90 -146.78 161.91 39.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 107.952 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.465 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 8.4 p -147.91 169.51 19.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.986 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.03 140.36 52.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.358 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.462 ' OD1' ' CB ' ' A' ' 30' ' ' ASP . 0.9 OUTLIER -132.75 -179.18 5.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 27' ' ' ASP . 3.1 m-85 -37.12 -62.23 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.9 p -148.95 75.92 1.32 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.383 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.462 ' CB ' ' OD1' ' A' ' 27' ' ' ASP . 0.2 OUTLIER 166.96 162.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.504 HD11 ' HE3' ' A' ' 99' ' ' LYS . 1.9 mp -128.49 145.34 51.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -129.63 113.11 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -122.83 117.04 50.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -106.85 126.54 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.685 HG21 HG11 ' A' ' 58' ' ' VAL . 58.5 t -106.81 130.19 23.26 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.99 139.03 23.83 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.491 1.785 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.427 ' CG1' HG23 ' A' ' 93' ' ' VAL . 32.6 m -123.83 159.18 57.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.48 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.03 176.98 9.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -85.92 12.38 9.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.48 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 4.4 p-80 -113.38 -3.74 13.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.606 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.438 HG23 ' HG2' ' A' ' 38' ' ' PRO . 12.1 t -101.48 103.67 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.525 HG12 ' CB ' ' A' ' 89' ' ' PRO . 12.1 m -125.46 -39.21 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -82.19 139.49 34.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.73 -1.57 58.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -10.81 35.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 0.804 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -94.88 17.7 13.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.14 129.21 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.35 121.14 41.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 110.049 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.57 HG21 ' CZ3' ' A' ' 85' ' ' TRP . 42.7 t -128.56 131.6 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 57' ' ' ARG . . . -127.28 111.88 14.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.427 1.08 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.473 HD23 ' HA ' ' A' ' 51' ' ' LEU . 15.0 mt -92.05 117.87 30.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.498 ' C ' ' CG2' ' A' ' 80' ' ' THR . 4.7 m -117.05 168.69 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 77' ' ' LYS . 3.5 m -72.9 -33.37 65.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.9 p -138.47 38.93 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 m -167.83 173.98 7.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.995 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -164.36 153.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.142 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.995 ' N ' HD13 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -136.84 135.71 38.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.685 HG11 HG21 ' A' ' 35' ' ' VAL . 11.3 t -141.35 105.02 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 67' ' ' ARG . . . -132.13 155.01 48.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.481 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -132.22 137.94 47.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.422 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 14.4 mt -73.79 133.32 43.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -98.64 -65.0 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.66 -66.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -90.64 -7.23 53.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -163.94 -133.82 1.55 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.422 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -160.05 -178.25 6.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.785 . . . . 0.0 110.312 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 8.1 ttt180 -146.06 140.64 26.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.36 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.0 t -90.62 101.97 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.481 HD21 ' HG2' ' A' ' 60' ' ' MET . 33.4 mt -66.77 -48.55 68.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.511 ' HE3' HG21 ' A' ' 108' ' ' ILE . 20.1 ttt -145.16 133.11 21.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -164.29 149.59 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.737 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 148.55 158.36 7.97 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.28 139.67 50.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.476 HD23 HD23 ' A' ' 109' ' ' LEU . 16.1 mt -75.22 169.11 18.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.3 p -78.93 -45.09 21.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.386 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 38.4 m80 -126.61 161.15 28.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.609 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 53' ' ' SER . 6.4 mmtt -66.25 168.27 8.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' SER . 1.7 pp -147.56 -166.91 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.404 ' N ' HD12 ' A' ' 78' ' ' ILE . 6.7 t-20 -121.75 85.38 2.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.498 ' CG2' ' C ' ' A' ' 52' ' ' SER . 25.2 p -48.58 -40.86 28.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.435 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -55.44 -55.38 32.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.401 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 0.3 OUTLIER -71.51 -25.89 62.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.0 m -77.02 139.94 40.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' A' ' 96' ' ' ASN . 1.1 pp -137.33 179.17 6.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.732 ' HB2' HG22 ' A' ' 95' ' ' VAL . 5.6 p-90 -159.77 150.84 19.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 107.968 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.8 m -140.87 159.01 43.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.855 HD22 ' H ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -114.24 140.65 48.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.855 ' H ' HD22 ' A' ' 87' ' ' LEU . 6.1 mt-10 -122.45 133.44 24.4 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.525 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.93 119.0 5.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 57.31 50.6 63.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -149.85 -102.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -163.45 175.28 10.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 108.355 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.427 HG23 ' CG1' ' A' ' 37' ' ' VAL . 97.5 t -103.65 138.15 29.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.767 HD13 ' N ' ' A' ' 95' ' ' VAL . 2.1 tm? -110.3 134.55 52.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.767 ' N ' HD13 ' A' ' 94' ' ' LEU . 66.9 t -136.83 123.34 29.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.568 ' HB2' HD12 ' A' ' 84' ' ' LEU . 17.9 m120 -105.55 114.14 28.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.0 mt -103.12 120.28 40.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.401 ' CB ' ' HB3' ' A' ' 82' ' ' SER . 0.4 OUTLIER -97.85 125.63 42.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.512 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 15.5 mttt -76.52 149.65 36.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 17.1 m -92.37 42.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 143.9 -163.61 27.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -95.97 94.76 7.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -128.32 155.24 44.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.561 ' O ' ' CD1' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -104.85 112.1 25.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 108.019 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.512 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 8.3 m95 -91.13 119.95 31.67 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -92.24 -16.72 25.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -165.49 157.6 15.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.511 HG21 ' HE3' ' A' ' 70' ' ' MET . 4.8 mm -76.6 -61.34 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.737 HD13 ' HA3' ' A' ' 72' ' ' GLY . 21.2 mt -97.56 156.97 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.6 t30 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.532 ' CG ' ' SD ' ' A' ' 70' ' ' MET . 48.0 p90 -160.93 130.63 4.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.9 m -86.93 156.24 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.557 ' CZ3' HD23 ' A' ' 31' ' ' LEU . 6.5 p-90 -163.41 163.88 24.81 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.3 m -151.41 159.79 44.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.026 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -112.9 132.14 55.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.336 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -113.94 177.87 4.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -43.72 -41.75 5.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.449 ' O ' HG23 ' A' ' 29' ' ' THR . 3.4 t -162.84 69.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 110.44 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 165.69 158.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.557 HD23 ' CZ3' ' A' ' 24' ' ' TRP . 1.0 OUTLIER -125.45 159.23 32.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -146.74 104.77 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.65 116.57 52.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 28.8 mtm180 -106.55 123.61 48.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.097 . . . . 0.0 110.271 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.591 HG21 HG11 ' A' ' 58' ' ' VAL . 95.1 t -104.38 133.12 20.37 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.94 137.12 21.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.565 ' CG1' HG23 ' A' ' 93' ' ' VAL . 32.9 m -122.78 158.78 55.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.5 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.97 179.11 6.39 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -86.91 12.9 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.5 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 5.3 p-80 -114.77 -3.72 12.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.589 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.458 HG23 ' HG2' ' A' ' 38' ' ' PRO . 16.3 t -102.07 109.81 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.515 HG12 ' CB ' ' A' ' 89' ' ' PRO . 15.8 m -130.04 -41.51 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.48 144.85 37.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.38 -2.73 84.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.156 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -15.91 28.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.755 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -83.18 7.92 14.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -140.65 140.31 33.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 m -106.44 139.33 41.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.624 HG21 ' CD2' ' A' ' 85' ' ' TRP . 78.9 t -138.96 119.97 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -113.32 120.12 40.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 51' ' ' LEU . 23.2 mt -119.07 124.2 46.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.701 ' O ' HG21 ' A' ' 80' ' ' THR . 17.1 m -128.38 -58.84 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.1 t 172.25 -59.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.003 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.0 p -114.7 31.43 6.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.969 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.28 145.02 22.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 1.01 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -142.83 151.59 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 1.01 ' N ' HD13 ' A' ' 56' ' ' ILE . 8.5 ttt180 -140.01 134.35 31.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.675 HG23 ' CD1' ' A' ' 56' ' ' ILE . 21.2 t -139.07 98.15 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 47' ' ' VAL . . . -122.97 151.45 41.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.577 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -128.79 145.12 51.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.405 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 11.8 mt -78.26 128.64 34.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 64' ' ' ASN . 6.8 mm-40 -106.97 38.22 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 66.42 -73.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 62' ' ' GLU . 3.3 m-20 -64.09 -32.02 73.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.85 -131.35 1.21 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.405 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -158.31 172.86 17.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 110.302 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -149.03 142.78 25.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.8 t -87.54 98.83 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.577 HD21 ' HG2' ' A' ' 60' ' ' MET . 37.2 mt -62.48 -54.62 37.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.532 ' SD ' ' CG ' ' A' ' 22' ' ' TYR . 20.5 ttt -139.15 133.57 31.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.443 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 9.5 tm-20 -162.73 152.08 15.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.443 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 151.49 159.28 8.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.23 112.77 14.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.774 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 108' ' ' ILE . 8.9 mt -48.42 172.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 108' ' ' ILE . 81.0 p -88.07 -38.96 15.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 105' ' ' TRP . 17.8 m80 -126.1 176.42 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.625 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -90.52 166.24 13.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.498 ' HA ' HG13 ' A' ' 100' ' ' VAL . 1.8 pp -140.48 -172.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 83' ' ' SER . 7.5 t-20 -111.79 79.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.701 HG21 ' O ' ' A' ' 52' ' ' SER . 80.2 p -47.55 -23.33 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.437 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -73.0 -41.9 63.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.46 ' N ' ' HG3' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -94.25 -9.54 35.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.966 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' ASN . 3.8 m -82.27 149.76 27.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.015 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -145.72 179.78 7.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.768 ' HB2' HG22 ' A' ' 95' ' ' VAL . 7.6 p-90 -164.79 129.25 2.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 107.976 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.99 153.4 33.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.831 HD22 ' N ' ' A' ' 88' ' ' GLU . 1.1 tm? -114.0 139.02 49.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.153 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.831 ' N ' HD22 ' A' ' 87' ' ' LEU . 3.3 mm-40 -119.44 132.73 23.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.515 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.96 124.5 8.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.15 44.74 88.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -146.04 -101.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -162.87 166.54 23.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 108.284 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.766 HG22 HD23 ' A' ' 87' ' ' LEU . 88.0 t -92.36 142.6 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.788 HD13 ' N ' ' A' ' 95' ' ' VAL . 0.9 OUTLIER -113.91 131.94 56.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.788 ' N ' HD13 ' A' ' 94' ' ' LEU . 71.0 t -135.32 106.44 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -88.54 125.99 35.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 15.6 mt -112.73 116.56 30.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 m -92.19 109.24 20.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.484 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 28.9 mttt -55.21 145.35 21.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.498 HG13 ' HA ' ' A' ' 78' ' ' ILE . 30.2 m -91.25 42.44 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 128.52 -178.82 16.96 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.44 94.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.286 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -128.33 155.69 44.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -107.68 112.79 25.66 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.549 ' CZ2' ' HB2' ' A' ' 76' ' ' HIS . 14.3 m95 -95.6 126.99 41.26 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -107.31 -9.95 15.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -171.03 163.8 7.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.552 HD11 ' CE3' ' A' ' 24' ' ' TRP . 3.3 mm -88.42 -59.38 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.425 HD22 ' C ' ' A' ' 72' ' ' GLY . 69.8 mt -101.26 167.12 10.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.306 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 34.0 p90 -156.86 135.17 11.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 85.1 m -86.58 159.26 19.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.364 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.523 ' CD2' HG12 ' A' ' 108' ' ' ILE . 4.3 p-90 -162.67 161.34 26.46 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.99 175.63 12.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.014 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.92 108.1 4.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -133.08 142.79 48.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 60.85 -78.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.4 t -176.26 53.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.0 p30 -152.47 174.47 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.561 HD21 ' CG ' ' A' ' 105' ' ' TRP . 0.4 OUTLIER -132.14 115.17 15.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.61 101.97 10.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -109.15 116.36 51.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.5 mtt180 -106.48 131.06 54.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 48.1 t -113.19 131.55 22.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.0 Cg_endo -75.04 142.66 28.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.523 1.801 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.489 HG11 HG23 ' A' ' 93' ' ' VAL . 28.0 m -127.65 158.67 69.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.622 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.0 177.27 8.81 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -86.11 12.52 9.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.622 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 8.0 p-80 -113.63 -3.59 13.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.62 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.46 HG23 ' HG2' ' A' ' 38' ' ' PRO . 21.2 t -103.27 110.38 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.517 HG12 ' CB ' ' A' ' 89' ' ' PRO . 16.5 m -129.79 -41.34 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -79.35 147.15 32.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.44 -16.18 80.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.83 -13.77 59.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' LEU . 6.8 mt-30 -80.64 -15.77 55.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -124.17 143.42 37.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.1 m -105.49 137.58 43.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.045 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.885 HG21 ' CD2' ' A' ' 85' ' ' TRP . 47.3 t -133.85 103.99 5.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.26 112.65 25.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.412 ' HB3' HG22 ' A' ' 80' ' ' THR . 61.0 mt -112.3 136.58 51.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.592 ' O ' HG21 ' A' ' 80' ' ' THR . 24.7 m -127.52 -70.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.032 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 77' ' ' LYS . 95.1 p 179.3 -48.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 74' ' ' LEU . 5.4 p -119.68 31.51 6.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.6 t -162.1 173.84 13.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.017 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 1.015 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -165.06 156.47 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 1.015 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -138.54 130.57 28.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.662 HG23 ' CD1' ' A' ' 56' ' ' ILE . 19.8 t -136.53 97.42 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.486 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -120.95 159.19 26.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.613 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -139.11 143.94 38.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 12.6 mt -76.55 132.71 39.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -97.59 -68.04 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.16 -69.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -90.47 -8.01 51.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.93 -136.07 1.94 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.474 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -157.24 -177.49 6.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 0.78 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 1.9 ttt180 -148.68 143.0 26.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.258 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.4 t -91.48 97.26 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.613 HD21 ' HG2' ' A' ' 60' ' ' MET . 51.4 mt -57.14 -60.11 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.534 ' HE1' HG21 ' A' ' 108' ' ' ILE . 25.4 ttt -132.09 144.72 50.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 14.2 tm-20 -175.77 148.61 0.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.552 ' O ' HD22 ' A' ' 109' ' ' LEU . . . 149.6 153.49 6.07 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -68.47 125.25 25.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 0.813 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.6 HD23 HD23 ' A' ' 109' ' ' LEU . 9.2 mt -64.92 174.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.7 p -83.13 -35.51 25.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.433 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.449 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 5.2 m-70 -132.67 176.7 8.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.576 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 53' ' ' SER . 16.3 mttp -87.41 159.98 18.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.467 HG23 ' CZ2' ' A' ' 105' ' ' TRP . 2.1 pp -136.56 176.69 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.705 ' CG ' HG12 ' A' ' 100' ' ' VAL . 40.3 m-20 -104.03 82.5 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.592 HG21 ' O ' ' A' ' 52' ' ' SER . 2.4 p -46.98 -27.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -71.11 -50.79 29.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.71 -19.73 58.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.9 m -78.86 161.23 26.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -150.78 179.63 8.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.885 ' CD2' HG21 ' A' ' 49' ' ' VAL . 2.6 p-90 -164.6 130.74 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.32 135.16 50.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.858 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -97.08 140.78 31.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.858 ' H ' HD22 ' A' ' 87' ' ' LEU . 15.2 mt-10 -120.14 133.4 23.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.517 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.93 124.3 8.56 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.94 46.68 83.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -148.61 -101.36 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -161.92 173.54 14.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 108.3 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.743 HG22 HD23 ' A' ' 87' ' ' LEU . 36.6 t -100.83 135.91 34.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.518 HD13 ' N ' ' A' ' 95' ' ' VAL . 2.2 tm? -105.46 132.38 51.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.612 HG22 ' HB2' ' A' ' 85' ' ' TRP . 72.9 t -137.36 119.31 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.457 ' O ' HD23 ' A' ' 97' ' ' LEU . 2.4 m120 -102.83 132.47 49.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.458 HD22 HD13 ' A' ' 78' ' ' ILE . 19.9 mt -120.4 118.05 29.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.83 109.54 22.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.957 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -55.27 141.55 35.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.705 HG12 ' CG ' ' A' ' 79' ' ' ASN . 35.1 m -92.21 41.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.31 175.24 13.81 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.137 . . . . 0.0 110.957 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -69.54 94.26 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 0.738 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -129.07 155.95 44.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.466 ' CG ' ' O ' ' A' ' 104' ' ' TRP . 13.7 p90 -111.98 93.01 4.24 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.561 ' CG ' HD21 ' A' ' 31' ' ' LEU . 10.6 m95 -73.27 84.88 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.025 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -58.7 -17.21 20.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -164.58 161.22 20.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.534 HG21 ' HE1' ' A' ' 70' ' ' MET . 15.2 mm -74.87 -60.58 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.6 HD23 HD23 ' A' ' 74' ' ' LEU . 34.5 mt -103.62 175.15 5.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 110.261 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.1 t30 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.533 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 42.8 p90 -159.45 129.46 5.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 p -86.49 157.96 19.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 110.433 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.526 ' CE2' HG12 ' A' ' 108' ' ' ILE . 8.0 p-90 -163.81 165.98 22.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 108.017 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.5 p -149.12 156.03 41.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.402 ' HB3' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -108.27 127.47 53.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.265 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -114.86 170.18 8.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -38.16 -33.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 29' ' ' THR . 7.7 t -172.32 73.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.371 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 t70 170.86 154.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.444 HD23 ' CZ3' ' A' ' 24' ' ' TRP . 2.4 mp -129.14 114.68 16.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.11 107.57 18.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.137 . . . . 0.0 110.259 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.15 134.38 54.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.16 131.21 53.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.544 HG12 HD13 ' A' ' 69' ' ' LEU . 92.1 t -110.78 130.41 22.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 138.4 22.97 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.53 1.805 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.405 ' HB ' ' HD2' ' A' ' 38' ' ' PRO . 32.6 m -121.41 159.65 49.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.591 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.05 -178.86 4.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.73 10.27 21.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.591 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 3.6 p-80 -108.38 -5.57 16.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.575 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.541 HG23 ' CD2' ' A' ' 40' ' ' HIS . 10.0 t -101.08 99.71 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.548 HG12 ' CB ' ' A' ' 89' ' ' PRO . 27.5 m -142.94 16.63 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.85 -87.83 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 154.63 -33.77 0.69 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.7 pttt -76.65 -11.8 59.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 0.794 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 61' ' ' LEU . 22.6 mt-30 -76.4 -26.63 55.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -109.98 141.29 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -112.85 153.87 27.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.938 HG21 ' CD2' ' A' ' 85' ' ' TRP . 65.7 t -140.97 131.85 27.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.654 ' HB3' ' CB ' ' A' ' 57' ' ' ARG . . . -127.42 110.75 13.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.2 mt -114.45 123.17 48.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.733 ' O ' HG21 ' A' ' 80' ' ' THR . 7.5 m -119.04 -65.97 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 52' ' ' SER . 29.1 t 174.16 -55.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.0 p -114.94 26.31 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.027 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.2 t -155.11 175.06 14.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.811 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -164.75 155.68 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.811 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -143.33 132.06 22.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.749 HG23 HD11 ' A' ' 56' ' ' ILE . 78.5 t -138.07 131.03 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 47' ' ' VAL . . . -151.1 164.01 37.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.541 ' HE1' ' CE1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -147.37 139.16 24.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.991 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.484 ' O ' ' CE ' ' A' ' 60' ' ' MET . 12.8 mt -73.23 129.21 37.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -95.61 -67.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.01 -72.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.33 -8.69 57.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.91 -135.53 1.83 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.468 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -154.74 -173.21 4.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.291 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 6.3 ttt180 -152.91 139.62 18.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 58' ' ' VAL . 81.9 t -89.53 96.99 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.544 HD13 HG12 ' A' ' 35' ' ' VAL . 28.7 mt -59.35 -50.92 72.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' VAL . 25.8 ttt -139.62 143.76 37.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' A' ' 72' ' ' GLY . 0.0 OUTLIER -175.75 152.41 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.28 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.438 ' N ' ' OE1' ' A' ' 71' ' ' GLU . . . 140.11 157.53 7.27 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.563 1.164 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.74 138.98 55.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.793 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.531 HD23 HD23 ' A' ' 109' ' ' LEU . 14.7 mt -78.75 176.22 9.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.0 p -83.82 -33.05 25.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.393 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 103' ' ' TYR . 68.9 m-70 -137.59 -173.35 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.585 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 53' ' ' SER . 9.8 mttt -90.2 169.61 10.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.4 pp -148.9 159.83 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -86.42 83.65 7.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.733 HG21 ' O ' ' A' ' 52' ' ' SER . 16.9 p -51.2 -21.05 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -76.02 -41.22 51.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.324 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.64 -10.82 41.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 14.9 m -89.02 120.59 30.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.517 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.9 OUTLIER -114.86 179.47 3.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 1.003 ' HB2' HG22 ' A' ' 95' ' ' VAL . 1.6 p-90 -159.75 126.97 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 108.019 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.9 m -119.99 149.32 42.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.894 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER -106.03 141.95 36.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.894 ' H ' HD22 ' A' ' 87' ' ' LEU . 2.4 mt-10 -123.46 134.22 25.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.548 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -74.98 120.23 5.99 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.6 47.21 78.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -144.21 -102.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.4 p -163.86 167.89 20.18 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.12 . . . . 0.0 108.301 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 35' ' ' VAL . 43.0 t -94.42 130.23 43.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.501 HD13 ' N ' ' A' ' 95' ' ' VAL . 2.6 tm? -106.9 129.37 54.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 1.003 HG22 ' HB2' ' A' ' 85' ' ' TRP . 64.6 t -135.97 129.23 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.517 ' HB2' HD12 ' A' ' 84' ' ' LEU . 4.3 m-20 -101.11 113.49 26.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.6 mt -101.65 115.13 29.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.3 146.34 27.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -83.19 134.33 34.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 100' ' ' VAL . 16.5 t -115.99 92.99 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.58 150.4 10.2 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.442 1.089 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.21 93.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.317 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.567 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 30.6 m-85 -129.3 156.03 44.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.502 ' O ' ' CD2' ' A' ' 76' ' ' HIS . 1.2 t-105 -88.84 116.36 27.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 108.027 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.452 ' O ' ' CB ' ' A' ' 106' ' ' ASN . 11.7 m95 -91.55 -75.26 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 108.009 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 105' ' ' TRP . 1.5 t-20 78.4 -52.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.349 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -128.93 161.29 30.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.526 HG12 ' CE2' ' A' ' 24' ' ' TRP . 10.1 mm -77.91 -58.83 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.531 HD23 HD23 ' A' ' 74' ' ' LEU . 64.6 mt -102.69 160.98 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 21' ' ' ASN . 2.1 p30 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.549 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 38.3 p90 -138.93 129.86 26.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 p -89.01 149.8 23.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.364 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.699 ' CE3' HD11 ' A' ' 108' ' ' ILE . 19.1 p-90 -154.8 163.77 39.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 107.992 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.4 p -153.97 160.19 41.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.972 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -108.27 125.59 51.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -105.36 -178.63 3.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -38.4 -58.1 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.1 t -151.59 70.49 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 165.54 150.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.13 155.33 18.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -142.51 107.54 4.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -121.35 120.11 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -108.45 123.25 48.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.506 HG21 HG11 ' A' ' 58' ' ' VAL . 48.0 t -101.38 129.52 26.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 136.71 20.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.776 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.4 m -121.46 158.97 52.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.535 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.96 175.94 10.56 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.462 1.77 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -83.56 7.76 16.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.535 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 2.8 p-80 -106.39 -4.69 19.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.622 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.468 HG23 ' CD2' ' A' ' 40' ' ' HIS . 25.5 t -102.45 109.27 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.549 HG12 ' CB ' ' A' ' 89' ' ' PRO . 30.0 m -137.27 19.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -142.85 146.63 34.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.441 ' O ' HG23 ' A' ' 47' ' ' VAL . . . -70.47 -25.83 75.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.19 -14.73 61.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -81.74 5.01 19.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.234 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 44' ' ' GLY . 0.1 OUTLIER -139.93 169.11 16.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.437 ' OG ' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -129.13 126.25 38.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.841 HG21 ' CD2' ' A' ' 85' ' ' TRP . 54.1 t -126.13 131.6 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -129.13 110.91 12.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.9 mt -111.66 128.12 55.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.524 ' O ' HG21 ' A' ' 80' ' ' THR . 0.6 OUTLIER -132.92 -59.79 0.88 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 52' ' ' SER . 14.6 t 170.78 -45.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.39 38.46 3.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.996 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.94 153.08 32.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.659 HD11 HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -149.85 142.83 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -143.93 122.88 12.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.659 HG23 HD11 ' A' ' 56' ' ' ILE . 49.0 t -132.41 96.94 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.46 ' HB2' HG22 ' A' ' 68' ' ' VAL . . . -124.21 129.79 51.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.522 ' HG2' HD11 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -103.26 143.48 32.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.5 ' O ' ' CE ' ' A' ' 60' ' ' MET . 8.4 mt -71.68 139.54 49.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -105.64 -173.17 2.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -68.77 -38.24 79.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -134.63 54.68 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 142.12 -141.16 10.61 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.12 169.55 22.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 33.4 ttp180 -139.11 141.19 38.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.46 HG22 ' HB2' ' A' ' 59' ' ' ALA . 94.0 t -94.43 97.11 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.522 HD11 ' HG2' ' A' ' 60' ' ' MET . 22.8 mt -64.05 -50.71 67.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.674 ' HE3' HG21 ' A' ' 108' ' ' ILE . 27.7 ttt -141.33 145.58 35.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 11.6 tm-20 -177.55 151.32 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.484 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 147.63 148.96 4.86 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.76 115.18 7.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.454 HD23 HD23 ' A' ' 109' ' ' LEU . 47.4 mt -52.46 174.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.465 ' CG2' ' O ' ' A' ' 107' ' ' ALA . 44.4 p -93.05 -37.69 12.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.448 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.418 ' NE2' ' HB3' ' A' ' 104' ' ' TRP . 0.3 OUTLIER -119.63 174.42 6.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -91.84 159.15 15.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.497 ' CG2' ' CZ2' ' A' ' 105' ' ' TRP . 2.2 pp -139.77 157.2 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.416 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 3.4 t-20 -88.41 81.41 7.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.524 HG21 ' O ' ' A' ' 52' ' ' SER . 52.4 p -40.33 -39.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.399 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -51.91 -57.83 8.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.09 -29.91 68.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.048 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.5 m -66.67 162.46 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.511 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -151.67 178.65 9.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.841 ' CD2' HG21 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -164.97 125.54 1.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.412 ' O ' HG13 ' A' ' 93' ' ' VAL . 75.2 m -128.06 162.71 26.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.915 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.7 OUTLIER -119.35 144.94 46.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.915 ' H ' HD22 ' A' ' 87' ' ' LEU . 3.3 mm-40 -127.32 135.8 27.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.549 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.0 118.72 5.37 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.766 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.2 51.66 54.49 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -150.12 -102.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.336 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.2 p -164.03 175.42 10.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 108.289 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 86' ' ' SER . 45.9 t -102.54 130.69 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.545 HD13 ' N ' ' A' ' 95' ' ' VAL . 2.5 tm? -96.9 129.32 44.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.545 ' N ' HD13 ' A' ' 94' ' ' LEU . 86.8 t -137.9 136.54 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.476 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 3.4 m120 -126.82 112.22 15.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.439 ' HB3' HG21 ' A' ' 78' ' ' ILE . 17.6 mt -92.51 118.32 30.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.416 ' CB ' ' HB3' ' A' ' 79' ' ' ASN . 24.7 t -70.5 138.85 51.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.603 ' HB3' ' CD1' ' A' ' 103' ' ' TYR . 2.0 mmtp -84.19 145.48 28.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.486 HG13 ' HA ' ' A' ' 78' ' ' ILE . 1.7 m -132.27 144.05 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.369 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.656 ' O ' ' CD1' ' A' ' 103' ' ' TYR . . . 36.81 -138.14 0.47 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.51 1.131 . . . . 0.0 111.031 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -68.66 102.38 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.656 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 4.4 m-30 -67.0 93.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.418 ' HB3' ' NE2' ' A' ' 76' ' ' HIS . 9.7 t-105 -117.04 92.66 3.92 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.505 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 60.0 m95 -123.5 119.58 30.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.476 ' O ' ' HB2' ' A' ' 107' ' ' ALA . 12.3 m-20 -127.61 6.14 6.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 106' ' ' ASN . . . 176.67 106.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.699 HD11 ' CE3' ' A' ' 24' ' ' TRP . 5.5 mm -37.08 -50.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.484 HD13 ' HA3' ' A' ' 72' ' ' GLY . 41.6 mt -115.87 152.46 33.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 41.4 p90 -147.4 126.11 12.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 p -94.76 157.01 16.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.438 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.796 ' CE3' HD11 ' A' ' 108' ' ' ILE . 11.3 p-90 -153.13 163.1 40.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.006 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.2 m -150.16 161.08 43.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -113.34 130.8 56.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.4 178.33 4.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -38.21 -55.0 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.26 75.83 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.43 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 164.93 149.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.478 ' CD2' ' CE3' ' A' ' 105' ' ' TRP . 2.2 mp -112.11 134.92 53.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -122.98 104.55 9.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.68 122.83 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.13 131.91 56.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.453 HG21 HG11 ' A' ' 58' ' ' VAL . 21.6 t -110.97 134.68 20.94 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.1 Cg_endo -75.07 140.92 25.84 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.559 HG11 HG23 ' A' ' 93' ' ' VAL . 30.7 m -128.12 158.17 71.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.568 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.0 177.97 7.89 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -85.55 11.15 11.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.568 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 4.2 p-80 -111.05 -4.61 15.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.584 1.178 . . . . 0.0 109.62 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.425 HG23 ' HG2' ' A' ' 38' ' ' PRO . 15.6 t -100.08 108.74 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.526 HG12 ' CB ' ' A' ' 89' ' ' PRO . 16.2 m -130.2 -40.69 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -85.84 130.58 34.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.88 -17.03 53.89 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -74.34 -6.74 49.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -92.39 -15.49 27.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -118.36 135.49 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.9 m -96.32 140.09 31.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.025 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.997 HG21 ' CD2' ' A' ' 85' ' ' TRP . 44.8 t -139.79 127.06 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -127.34 111.89 14.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -112.85 127.07 56.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.267 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.633 ' O ' HG21 ' A' ' 80' ' ' THR . 70.1 m -128.92 -63.01 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 52' ' ' SER . 68.9 p 175.27 -52.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 100.0 p -121.04 33.45 5.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.38 152.67 27.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.969 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.998 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -149.34 150.27 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.998 ' N ' HD13 ' A' ' 56' ' ' ILE . 15.4 ttt180 -138.99 130.68 27.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.6 HG23 ' CD1' ' A' ' 56' ' ' ILE . 6.8 t -139.93 97.27 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 67' ' ' ARG . . . -127.84 142.93 51.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.553 ' HG2' HD21 ' A' ' 69' ' ' LEU . 1.9 ptm -114.36 137.55 51.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 mt -67.31 140.1 57.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -104.81 -174.63 2.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -72.48 -21.71 61.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -147.6 51.19 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 142.37 -134.97 6.35 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.13 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -157.15 -179.21 7.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -155.52 147.67 23.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.7 t -92.75 113.19 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.553 HD21 ' HG2' ' A' ' 60' ' ' MET . 77.3 mt -73.37 -51.39 17.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.592 ' SD ' ' CD1' ' A' ' 22' ' ' TYR . 12.7 ttt -125.1 -93.24 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.468 ' N ' ' HG2' ' A' ' 70' ' ' MET . 3.6 tt0 59.58 146.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.859 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 150.11 149.08 4.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.577 1.173 . . . . 0.0 111.019 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -68.55 124.35 23.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 108' ' ' ILE . 16.7 mt -66.13 157.1 32.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.0 p -73.64 -38.66 64.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -126.51 -176.85 3.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.58 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -90.17 168.96 11.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.4 pp -147.96 164.13 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 80' ' ' THR . 5.1 t-20 -95.11 79.68 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.633 HG21 ' O ' ' A' ' 52' ' ' SER . 69.5 p -37.87 -49.9 1.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 110.384 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -47.28 -53.82 12.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -31.64 67.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 14.5 m -76.46 157.56 32.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 1.4 pp -155.04 179.23 9.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.997 ' CD2' HG21 ' A' ' 49' ' ' VAL . 5.3 p-90 -151.02 121.87 7.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.01 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.9 m -117.89 126.53 52.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.949 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.83 HD22 ' H ' ' A' ' 88' ' ' GLU . 1.2 tm? -91.63 143.57 26.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.83 ' H ' HD22 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -124.67 135.37 26.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.526 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.94 123.06 7.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.551 1.816 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.58 59.78 9.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -161.01 -97.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -164.03 177.67 8.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 108.281 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.629 HG22 HD23 ' A' ' 87' ' ' LEU . 17.1 t -105.12 132.29 52.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.5 HD13 ' N ' ' A' ' 95' ' ' VAL . 2.6 tm? -101.35 134.74 43.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.532 HG22 ' HB2' ' A' ' 85' ' ' TRP . 63.4 t -139.95 108.18 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.485 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 15.1 m120 -95.3 107.53 19.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.9 mt -96.58 131.87 42.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.15 157.26 18.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.023 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -90.64 137.68 32.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 24.3 t -125.6 90.95 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.54 152.48 23.34 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 94.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 0.797 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -128.94 155.93 44.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -98.38 103.8 15.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 107.959 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.478 ' CE3' ' CD2' ' A' ' 31' ' ' LEU . 20.3 m95 -80.28 94.14 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -83.26 -7.6 59.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -174.35 174.85 2.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.796 HD11 ' CE3' ' A' ' 24' ' ' TRP . 22.3 mm -87.25 -58.21 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.859 HD13 ' HA3' ' A' ' 72' ' ' GLY . 24.8 mt -100.09 164.16 12.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.264 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.1 t30 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 43.7 p90 -152.05 129.11 11.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 p -86.57 150.57 24.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.535 ' CE3' HD11 ' A' ' 108' ' ' ILE . 7.9 p-90 -155.45 160.7 40.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.6 m -147.6 161.6 40.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -108.36 136.29 48.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -126.84 170.15 12.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -37.47 -56.55 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.636 ' O ' HG23 ' A' ' 29' ' ' THR . 10.0 t -150.63 74.4 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.413 ' CB ' ' O ' ' A' ' 29' ' ' THR . 0.3 OUTLIER 162.36 159.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.63 HD21 ' HB3' ' A' ' 105' ' ' TRP . 3.4 mp -125.45 141.4 52.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.03 105.93 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.251 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -116.23 127.26 73.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 16.4 mtp180 -117.24 131.13 56.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.425 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 17.8 t -111.35 130.39 23.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.02 140.88 25.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.8 m -126.7 158.26 68.54 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.535 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.1 Cg_endo -74.97 176.65 9.62 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.444 1.76 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -85.72 11.75 10.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.535 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 3.5 p-80 -110.58 -5.55 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.644 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.49 HG23 ' HG2' ' A' ' 38' ' ' PRO . 42.1 t -102.59 115.16 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.582 HG12 ' CB ' ' A' ' 89' ' ' PRO . 17.9 m -135.71 -41.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -77.22 138.38 39.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.88 -14.05 57.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -83.11 -12.89 56.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 0.729 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -79.52 -6.43 56.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -135.43 151.17 29.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -114.44 147.79 38.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.981 HG21 ' CD2' ' A' ' 85' ' ' TRP . 44.1 t -140.13 109.35 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.667 ' HB3' ' HB3' ' A' ' 57' ' ' ARG . . . -106.93 108.3 19.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.9 mt -110.79 134.77 52.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.541 ' O ' HG21 ' A' ' 80' ' ' THR . 63.6 m -132.23 -66.3 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.99 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.46 ' HA ' HG13 ' A' ' 78' ' ' ILE . 78.5 p 177.04 -39.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.472 ' CB ' ' HD2' ' A' ' 77' ' ' LYS . 5.6 t -137.81 41.17 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.02 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.73 135.32 2.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.5 tt -124.78 152.97 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.667 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 10.2 ttt180 -143.99 110.32 5.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.8 t -120.83 105.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' A' ' 47' ' ' VAL . . . -126.52 144.81 50.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.589 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -121.37 137.02 54.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.47 ' O ' ' CE ' ' A' ' 60' ' ' MET . 9.2 mt -68.26 134.95 51.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -100.39 -173.67 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -69.65 -31.28 69.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -140.93 53.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 142.44 -138.28 8.35 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.03 169.79 22.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.787 . . . . 0.0 110.301 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.26 145.55 32.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.5 t -93.4 96.28 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.589 HD21 ' HG2' ' A' ' 60' ' ' MET . 45.3 mt -57.54 -58.54 7.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.476 ' SD ' ' CG ' ' A' ' 22' ' ' TYR . 25.6 ttt -135.06 136.41 42.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.456 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 11.8 tm-20 -169.61 141.62 2.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.336 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.574 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 157.2 154.48 7.08 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 123.56 18.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 54' ' ' SER . 18.8 mt -60.52 -171.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 108' ' ' ILE . 52.6 p -81.86 -35.57 29.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.484 ' CG ' ' O ' ' A' ' 75' ' ' THR . 34.1 m80 -163.36 -173.08 3.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.597 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.503 ' N ' ' HD3' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -69.44 165.28 21.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.555 ' HA ' HG13 ' A' ' 100' ' ' VAL . 2.1 pp -152.94 -172.75 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -107.11 84.93 2.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.541 HG21 ' O ' ' A' ' 52' ' ' SER . 2.6 p -49.92 -47.06 52.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.418 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -50.21 -55.19 16.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.268 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.47 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 12.9 t -66.32 -33.94 76.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.949 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 70.6 m -68.57 124.57 23.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.991 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.458 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -110.15 178.2 4.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.981 ' CD2' HG21 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -165.07 120.5 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 107.997 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.8 m -127.04 133.08 50.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.908 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -92.11 144.49 25.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.908 ' H ' HD22 ' A' ' 87' ' ' LEU . 1.8 mt-10 -122.82 134.87 25.25 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.582 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.5 Cg_endo -74.96 124.3 8.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.2 46.52 62.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.525 1.141 . . . . 0.0 111.049 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -145.61 -103.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -163.95 175.99 9.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 108.291 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.425 HG22 HD23 ' A' ' 87' ' ' LEU . 91.9 t -101.63 138.21 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.833 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.1 tm? -112.78 132.22 55.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.833 ' N ' HD13 ' A' ' 94' ' ' LEU . 54.4 t -138.88 143.35 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.441 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 2.9 m120 -125.93 126.08 43.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.435 HD23 ' C ' ' A' ' 96' ' ' ASN . 7.8 mt -107.5 117.14 33.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 82' ' ' SER . 15.9 t -90.41 123.37 34.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.566 ' HD3' ' CD1' ' A' ' 105' ' ' TRP . 0.9 OUTLIER -72.42 129.93 39.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.555 HG13 ' HA ' ' A' ' 78' ' ' ILE . 16.8 m -87.57 47.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 144.79 -138.13 7.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.46 94.14 3.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.293 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -128.72 156.02 44.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 28.6 p90 -94.62 111.37 23.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 107.988 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.63 ' HB3' HD21 ' A' ' 31' ' ' LEU . 21.8 m95 -96.38 81.05 3.23 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -78.37 0.02 27.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.685 ' O ' HG21 ' A' ' 75' ' ' THR . . . -166.38 170.94 12.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.746 ' O ' HG23 ' A' ' 75' ' ' THR . 5.3 mm -98.08 -53.93 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.574 HD13 ' HA3' ' A' ' 72' ' ' GLY . 50.1 mt -103.77 156.29 17.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.586 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 29.8 t30 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.586 ' CD2' ' HB3' ' A' ' 21' ' ' ASN . 18.3 p90 173.66 131.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.09 142.28 28.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.48 ' CE3' HD11 ' A' ' 108' ' ' ILE . 14.4 p-90 -145.27 160.19 41.87 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 92.3 p -153.91 177.79 10.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.993 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.7 116.95 6.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -132.82 132.39 42.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.441 ' O ' ' HB ' ' A' ' 29' ' ' THR . 0.2 OUTLIER 67.75 -66.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER 175.45 62.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 110.392 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -157.98 -179.24 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.56 HD22 ' CE3' ' A' ' 105' ' ' TRP . 1.1 mp -136.73 101.15 4.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.76 104.79 16.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -117.48 123.07 71.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 3.3 mtm180 -114.93 128.76 56.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.586 HG21 HG11 ' A' ' 58' ' ' VAL . 57.3 t -102.85 130.87 22.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 136.67 20.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.4 m -120.87 159.07 50.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.0 177.3 8.78 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.798 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.41 11.59 10.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.464 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 3.2 p-80 -112.42 -3.59 14.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.55 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.438 HG23 ' HG2' ' A' ' 38' ' ' PRO . 15.6 t -101.93 108.96 24.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.595 HG12 ' CB ' ' A' ' 89' ' ' PRO . 15.4 m -132.45 -41.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -76.39 143.11 40.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.34 2.56 61.63 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -94.31 -12.53 27.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -94.2 24.74 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.562 HG21 ' HG ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -151.07 138.96 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.64 131.15 56.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.758 HG21 ' CE3' ' A' ' 85' ' ' TRP . 45.8 t -126.3 138.02 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.403 ' HB3' ' CB ' ' A' ' 57' ' ' ARG . . . -128.14 114.89 17.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.3 mt -116.96 122.31 43.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.688 ' O ' HG21 ' A' ' 80' ' ' THR . 13.8 m -125.95 -63.0 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.971 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 52' ' ' SER . 19.4 t 172.69 -51.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 74' ' ' LEU . 0.1 OUTLIER -119.85 27.66 8.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 110.027 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.14 153.24 32.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.99 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 1.012 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -148.14 151.8 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 1.012 ' N ' HD13 ' A' ' 56' ' ' ILE . 9.1 ttt180 -139.08 134.59 33.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.677 HG23 ' CD1' ' A' ' 56' ' ' ILE . 20.0 t -139.33 103.32 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -127.24 163.54 23.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.578 ' HG2' HD21 ' A' ' 69' ' ' LEU . 1.4 ptm -142.32 136.5 29.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.411 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 15.2 mt -72.61 130.28 40.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -95.33 -69.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -165.9 -66.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -89.11 -11.95 42.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.11 -133.96 1.59 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.411 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -157.77 178.51 10.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 110.31 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -142.62 141.11 31.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 91.0 t -91.43 99.39 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.578 HD21 ' HG2' ' A' ' 60' ' ' MET . 31.0 mt -61.88 -53.02 61.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 58' ' ' VAL . 19.2 ttt -141.8 140.96 33.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.451 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 14.5 tm-20 -170.68 150.16 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.518 ' C ' HD22 ' A' ' 109' ' ' LEU . . . 151.36 155.67 7.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -69.57 123.05 20.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 54' ' ' SER . 15.7 mt -61.35 166.94 3.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 108' ' ' ILE . 62.6 p -78.06 -42.37 32.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 38.4 m80 -130.15 169.56 15.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.567 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -77.72 166.65 22.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.471 ' C ' HG13 ' A' ' 100' ' ' VAL . 1.9 pp -142.41 -175.69 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.62 ' CG ' HG12 ' A' ' 100' ' ' VAL . 22.1 m-20 -109.98 77.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.688 HG21 ' O ' ' A' ' 52' ' ' SER . 73.6 p -38.59 -39.09 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.354 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -57.72 -53.92 52.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 61.0 m -72.86 -19.48 61.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 110.038 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.6 m -83.81 139.74 32.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 1.0 OUTLIER -127.38 179.33 5.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.329 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.758 ' CE3' HG21 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -160.75 126.09 3.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 108.033 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.93 158.87 40.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.859 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -115.81 141.96 47.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.859 ' H ' HD22 ' A' ' 87' ' ' LEU . 1.8 mt-10 -123.18 134.78 25.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.595 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.96 122.12 7.02 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.32 46.34 72.23 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.475 1.11 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.21 -103.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -163.61 174.75 11.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 108.276 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' VAL . 91.1 t -99.74 128.9 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.623 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.9 tm? -97.62 138.43 35.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.623 ' N ' HD13 ' A' ' 94' ' ' LEU . 92.3 t -146.6 127.28 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.478 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 4.2 m120 -111.04 125.05 53.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.417 HD22 HD13 ' A' ' 78' ' ' ILE . 25.3 mt -112.87 111.8 22.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.61 102.48 14.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -49.95 146.6 4.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.62 HG12 ' CG ' ' A' ' 79' ' ' ASN . 16.0 m -90.06 44.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.53 -137.83 7.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.22 94.49 4.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 0.737 . . . . 0.0 110.26 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -128.36 155.71 44.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 19.4 t-105 -98.42 104.06 16.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 108.021 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.56 ' CE3' HD22 ' A' ' 31' ' ' LEU . 8.8 m95 -82.28 98.4 8.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 108.017 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -69.9 -16.11 63.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -168.31 171.85 8.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.586 ' O ' HG23 ' A' ' 75' ' ' THR . 20.0 mm -85.33 -60.26 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.518 HD22 ' C ' ' A' ' 72' ' ' GLY . 49.3 mt -100.73 175.16 5.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.935 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 p -55.52 125.24 20.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 0.733 . . . . 0.0 109.963 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -153.11 100.96 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.08 -162.25 12.46 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.01 116.47 4.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.757 . . . . 0.0 109.98 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 m -124.54 161.91 25.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.48 -137.75 9.89 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.87 88.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.782 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.9 -33.93 15.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.23 152.92 0.7 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -50.27 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -149.62 -52.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.391 1.057 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 t -73.54 118.44 16.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -57.73 91.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 59.96 113.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.13 -164.47 36.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 110.996 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -107.08 151.66 25.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 0.78 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.2 t -131.92 141.4 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.35 169.68 22.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.45 68.27 3.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -168.81 -58.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 37.9 p90 -165.3 126.15 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.8 m -86.45 157.12 19.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.434 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.592 ' CE3' HD11 ' A' ' 108' ' ' ILE . 7.0 p-90 -162.75 163.99 26.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.167 . . . . 0.0 107.967 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.2 p -151.14 156.93 42.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.043 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' A' ' 105' ' ' TRP . 14.8 tt0 -110.4 133.09 53.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -126.05 -178.99 4.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -38.47 -75.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.5 p -135.39 68.62 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.41 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 2.8 p-10 166.37 147.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.528 HD23 ' HZ3' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -120.32 155.95 32.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -137.57 116.23 12.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -119.13 127.99 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.447 ' HG3' HD22 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -115.97 126.21 53.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.571 HG21 HG11 ' A' ' 58' ' ' VAL . 39.7 t -111.59 129.97 23.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.5 Cg_endo -74.97 140.65 25.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.527 1.804 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.408 HG11 HG23 ' A' ' 93' ' ' VAL . 30.1 m -125.68 158.75 63.94 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.479 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.99 177.22 8.88 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.498 1.789 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.77 12.08 9.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.479 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 5.1 p-80 -114.29 -2.39 13.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.621 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.477 HG23 ' HG2' ' A' ' 38' ' ' PRO . 16.6 t -104.08 110.9 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.475 HG12 ' CB ' ' A' ' 89' ' ' PRO . 16.9 m -129.67 -41.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.53 148.51 29.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.14 -14.53 82.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -77.1 -13.58 59.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -82.65 -14.08 55.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -123.75 150.93 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.38 130.84 56.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.671 HG21 ' CE3' ' A' ' 85' ' ' TRP . 55.3 t -131.58 107.44 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.551 ' HB3' ' HB2' ' A' ' 57' ' ' ARG . . . -104.81 124.19 49.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.2 mt -123.81 125.68 45.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.611 ' O ' HG21 ' A' ' 80' ' ' THR . 41.1 m -127.34 -64.82 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.953 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 52' ' ' SER . 98.0 p 178.31 -54.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.9 33.01 5.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.86 147.04 23.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 1.015 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -140.71 151.24 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.137 . . . . 0.0 109.336 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 1.015 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -139.9 131.14 26.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.649 HG23 ' CD1' ' A' ' 56' ' ' ILE . 14.3 t -139.46 105.99 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.55 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -131.88 159.85 37.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.5 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -140.73 143.16 34.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.984 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.5 ' O ' ' CE ' ' A' ' 60' ' ' MET . 12.5 mt -77.82 130.8 37.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -93.54 -67.46 0.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -166.42 -65.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -94.88 -6.74 42.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.27 -134.62 1.68 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.477 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 2.0 pm0 -159.74 178.63 9.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 110.272 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.92 142.95 30.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.7 t -90.93 97.14 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.486 HD21 ' HG2' ' A' ' 60' ' ' MET . 42.1 mt -61.34 -56.07 24.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.495 ' HE3' HG21 ' A' ' 108' ' ' ILE . 18.1 ttt -139.81 131.2 26.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.449 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 10.2 tm-20 -163.05 153.99 16.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.741 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 147.38 158.02 7.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -68.03 130.14 42.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.7 mt -66.7 164.78 16.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 108' ' ' ILE . 23.3 p -67.54 -46.26 73.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 110.368 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -134.94 -168.84 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.602 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -90.89 164.99 13.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.493 ' HA ' HG13 ' A' ' 100' ' ' VAL . 2.0 pp -142.05 -172.83 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -113.64 75.87 0.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.611 HG21 ' O ' ' A' ' 52' ' ' SER . 70.9 p -38.88 -40.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.44 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -55.72 -54.13 48.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.29 -27.92 62.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.04 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.0 m -71.02 156.31 39.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -147.94 179.56 7.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.695 ' HB2' HG22 ' A' ' 95' ' ' VAL . 1.6 p-90 -164.55 132.36 3.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 107.985 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.4 m -127.72 134.37 49.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.817 HD22 ' N ' ' A' ' 88' ' ' GLU . 1.1 tm? -98.33 138.74 35.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.817 ' N ' HD22 ' A' ' 87' ' ' LEU . 2.3 mt-10 -118.5 132.51 23.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.475 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.95 124.7 8.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.442 1.759 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.6 46.55 88.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -148.85 -100.27 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -163.76 173.36 12.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.289 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.803 HG22 HD23 ' A' ' 87' ' ' LEU . 46.5 t -100.43 140.62 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.717 HD13 ' N ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -114.53 130.15 56.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.717 ' N ' HD13 ' A' ' 94' ' ' LEU . 74.1 t -134.6 120.78 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -104.06 125.0 50.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.2 mt -108.12 127.41 53.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.94 114.06 27.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.572 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 27.5 mttt -62.91 146.28 53.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.493 HG13 ' HA ' ' A' ' 78' ' ' ILE . 28.3 m -97.68 41.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 139.02 -159.91 25.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -96.31 94.77 7.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -128.42 155.75 44.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 29.7 t-105 -103.28 103.1 13.09 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.129 . . . . 0.0 108.0 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.572 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 11.8 m95 -83.59 92.93 7.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 107.976 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -72.69 -12.83 61.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.631 ' O ' HG21 ' A' ' 75' ' ' THR . . . -164.27 175.65 9.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.66 ' O ' HG23 ' A' ' 75' ' ' THR . 8.2 mm -92.24 -55.59 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.741 HD13 ' HA3' ' A' ' 72' ' ' GLY . 48.2 mt -99.2 160.53 14.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.62 58.4 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 169.4 40.13 0.03 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.474 ' HB3' ' HB1' ' A' ' 107' ' ' ALA . 3.2 tp10 -128.98 137.18 51.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.755 . . . . 0.0 110.263 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -41.53 138.4 1.63 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 127.86 11.02 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 23.6 pt -47.24 164.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.252 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -78.89 -51.8 9.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.252 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.6 mm -41.54 134.23 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -150.84 168.2 25.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 120' ' ' GLY . 2.1 t -126.82 174.88 8.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.958 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 119' ' ' SER . . . -60.59 -130.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 137.32 21.55 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.9 m -135.37 -55.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.97 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.5 t -44.26 -58.51 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 m 63.26 166.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 0.746 . . . . 0.0 109.965 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.8 p 44.23 83.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.19 -78.11 0.75 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 47.41 86.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.763 . . . . 0.0 110.018 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t -143.66 116.21 8.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.953 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.58 178.51 16.75 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.56 137.83 57.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 0.731 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.38 142.78 35.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -119.53 149.8 48.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.419 ' O ' ' CB ' ' A' ' 12' ' ' ASP . 18.3 Cg_endo -75.02 -47.32 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 11' ' ' PRO . 0.5 OUTLIER 76.53 -64.29 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.744 ' CB ' HG21 ' A' ' 23' ' ' THR . 3.6 t -128.53 -62.6 1.02 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -158.92 128.28 5.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -57.0 95.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.79 -80.96 0.06 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -129.26 111.62 13.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.5 t -141.91 116.63 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -124.97 178.25 5.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.3 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.86 71.36 2.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -172.26 -60.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 27.0 p90 -163.5 131.06 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.744 HG21 ' CB ' ' A' ' 13' ' ' SER . 2.9 m -88.07 151.95 22.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.383 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.528 ' CE3' HD11 ' A' ' 108' ' ' ILE . 8.6 p-90 -159.4 162.59 35.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 107.982 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 p -147.45 158.61 44.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -108.88 119.93 41.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 28' ' ' TYR . 1.4 m-20 -110.53 -179.04 3.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -37.42 -65.23 0.32 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -147.25 74.86 1.35 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 110.415 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 166.47 144.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.489 HD23 ' CZ3' ' A' ' 24' ' ' TRP . 2.7 mp -113.52 123.61 50.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.91 112.45 24.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -116.52 134.18 60.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.5 mtt85 -119.22 132.75 55.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.52 HG21 HG11 ' A' ' 58' ' ' VAL . 5.2 t -115.8 127.53 26.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.181 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 141.34 26.52 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.455 1.766 . . . . 0.0 110.96 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.4 m -125.16 158.84 62.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.06 177.45 8.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.95 14.59 7.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.567 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 7.0 p-80 -115.77 -3.85 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.601 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.496 HG23 ' HG2' ' A' ' 38' ' ' PRO . 33.6 t -103.91 111.35 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.487 HG12 ' CB ' ' A' ' 89' ' ' PRO . 13.9 m -128.69 -41.22 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -77.68 162.1 27.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.354 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.67 -15.81 62.91 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -79.11 -14.73 58.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -84.64 2.08 43.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -141.99 127.65 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.51 128.39 46.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.504 HG21 ' CE3' ' A' ' 85' ' ' TRP . 37.9 t -130.78 122.83 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.545 ' HB3' ' HB3' ' A' ' 57' ' ' ARG . . . -112.19 106.62 15.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 51' ' ' LEU . 15.9 mt -88.13 116.92 26.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 55' ' ' SER . 0.8 OUTLIER -127.11 143.19 51.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.546 ' HA ' HG23 ' A' ' 80' ' ' THR . 1.8 m -51.63 -26.05 8.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.9 p -148.86 53.62 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.427 ' O ' ' CB ' ' A' ' 52' ' ' SER . 0.0 OUTLIER 173.49 134.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.025 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.978 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -128.94 154.64 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.978 ' N ' HD13 ' A' ' 56' ' ' ILE . 34.7 ttt180 -143.47 139.62 29.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.62 HG23 ' CD1' ' A' ' 56' ' ' ILE . 18.4 t -142.02 119.94 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.447 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -141.13 159.73 41.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.5 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -142.19 142.24 32.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.5 ' O ' ' CE ' ' A' ' 60' ' ' MET . 15.1 mt -75.84 133.45 40.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -102.87 -84.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -165.13 -45.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -116.9 20.34 13.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 146.18 127.54 1.87 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.477 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 1.4 pm0 -64.95 175.43 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 0.807 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 1.3 ttt85 -141.51 141.42 33.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.4 t -89.57 99.33 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.446 HD13 HG12 ' A' ' 35' ' ' VAL . 46.4 mt -61.83 -50.33 72.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.471 ' HE1' HG21 ' A' ' 108' ' ' ILE . 18.3 ttt -141.8 148.63 39.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.516 ' O ' HD13 ' A' ' 109' ' ' LEU . 8.6 tm-20 -177.59 160.85 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.5 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 141.05 161.82 8.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.81 129.62 34.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.536 HD23 HD23 ' A' ' 109' ' ' LEU . 29.7 mt -65.07 152.36 43.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.474 HG22 ' HA ' ' A' ' 110' ' ' GLU . 7.6 p -77.1 -5.7 49.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.525 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 14.0 m-70 -152.85 176.73 11.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.608 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.476 ' C ' HG23 ' A' ' 78' ' ' ILE . 11.0 mttt -85.51 170.68 12.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.506 HD11 HG22 ' A' ' 80' ' ' THR . 1.8 pp -155.32 162.0 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' THR . 4.8 t-20 -95.17 74.39 3.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.546 HG23 ' HA ' ' A' ' 53' ' ' SER . 74.6 p -37.6 -48.44 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -43.35 -54.74 4.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.254 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.8 m -71.04 -32.59 69.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 10.0 m -64.68 129.49 40.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.453 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.5 OUTLIER -116.21 178.83 4.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.752 ' HB2' HG22 ' A' ' 95' ' ' VAL . 0.7 OUTLIER -165.13 120.23 1.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 108.033 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.5 m -123.01 141.55 51.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.846 HD22 ' H ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -103.11 140.4 37.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.846 ' H ' HD22 ' A' ' 87' ' ' LEU . 8.5 mt-10 -120.41 133.81 24.06 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.487 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.1 Cg_endo -75.05 123.97 8.25 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.39 45.62 82.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.22 -102.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.4 p -163.65 177.33 8.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 108.318 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.526 HG22 HD23 ' A' ' 87' ' ' LEU . 74.7 t -105.24 137.37 35.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.662 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.6 tm? -113.64 129.14 56.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.752 HG22 ' HB2' ' A' ' 85' ' ' TRP . 81.7 t -136.6 139.8 44.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.453 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 2.7 m120 -119.62 116.52 26.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.1 mt -97.03 112.35 24.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.0 t -70.48 139.82 51.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -82.81 131.58 35.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 100' ' ' VAL . 16.7 t -112.61 93.73 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 77.43 148.72 3.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.13 93.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 0.0 110.321 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -129.33 153.05 48.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.514 ' O ' ' CD2' ' A' ' 76' ' ' HIS . 0.9 OUTLIER -81.14 124.16 29.02 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.525 ' CE2' ' HB2' ' A' ' 76' ' ' HIS . 7.2 m95 -102.01 -71.24 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 108.016 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.484 ' ND2' ' CB ' ' A' ' 114' ' ' PRO . 2.2 t-20 80.2 -52.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -127.23 161.63 28.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.528 HD11 ' CE3' ' A' ' 24' ' ' TRP . 3.6 mm -76.72 -63.18 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.536 HD23 HD23 ' A' ' 74' ' ' LEU . 28.3 mt -97.64 163.73 12.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.474 ' HA ' HG22 ' A' ' 75' ' ' THR . 11.1 mt-10 -70.25 -8.7 52.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -115.49 42.71 1.84 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -137.37 122.24 18.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -42.64 147.84 0.59 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.484 ' CB ' ' ND2' ' A' ' 106' ' ' ASN . 18.5 Cg_endo -74.92 -172.46 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 15.2 pt -129.87 171.18 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -108.44 -51.51 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 9.1 mm -52.95 134.2 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -150.61 131.7 14.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.337 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.75 84.49 5.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.947 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -114.76 -143.84 8.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 68.15 5.76 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.455 1.766 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.9 p -175.25 132.1 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.5 p -68.82 103.38 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.94 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.79 85.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 0.713 . . . . 0.0 110.033 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t 66.78 96.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.47 80.22 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -163.04 116.47 1.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 0.77 . . . . 0.0 110.003 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.26 -59.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.947 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.24 -138.96 3.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 61.04 164.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 0.741 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.71 157.43 7.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -138.62 146.99 53.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 179.58 5.95 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.557 1.819 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -40.64 -56.33 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 0.0 109.251 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' TYR . 20.4 p -71.46 114.19 9.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' SER . 6.5 t80 -37.75 -51.98 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -170.29 103.03 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -171.61 -107.14 0.2 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -176.88 122.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.592 HG12 ' CG2' ' A' ' 23' ' ' THR . 4.1 m -98.88 -171.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.72 157.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.55 78.86 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.357 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.516 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 2.3 t30 173.54 -62.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.516 ' CD2' ' HB3' ' A' ' 21' ' ' ASN . 36.8 p90 -159.47 133.74 7.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.592 ' CG2' HG12 ' A' ' 18' ' ' VAL . 1.6 m -86.5 146.61 26.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.577 ' HZ3' HD23 ' A' ' 31' ' ' LEU . 12.7 p-90 -157.84 165.36 35.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.035 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.2 p -151.62 155.63 38.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.96 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.499 ' OE1' HD11 ' A' ' 115' ' ' ILE . 36.2 tt0 -108.8 131.81 54.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -118.49 178.61 4.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -39.24 -59.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 t -149.63 67.11 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.414 ' N ' ' HE3' ' A' ' 99' ' ' LYS . 1.3 p-10 172.41 153.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.777 HD21 ' CB ' ' A' ' 105' ' ' TRP . 1.7 mp -124.23 156.79 36.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -146.69 107.95 4.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.96 123.22 68.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -113.1 124.3 52.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.475 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 47.3 t -105.62 133.15 20.32 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.02 137.54 21.8 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.516 1.798 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.545 ' CG1' HG23 ' A' ' 93' ' ' VAL . 32.4 m -123.93 158.52 59.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.571 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.07 178.0 7.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.439 1.757 . . . . 0.0 110.968 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -85.71 12.2 9.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.571 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 6.3 p-80 -113.82 -3.6 13.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.61 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.459 HG23 ' HG2' ' A' ' 38' ' ' PRO . 16.0 t -102.51 109.34 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.477 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 15.2 m -127.8 -41.3 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -81.07 153.41 27.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.47 -12.15 80.83 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -79.98 -13.44 59.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -84.37 -13.08 53.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -121.47 141.32 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -103.18 136.08 43.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.551 HG21 ' CD2' ' A' ' 85' ' ' TRP . 55.5 t -139.65 113.68 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.47 114.4 27.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.0 mt -113.99 123.49 49.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.578 ' O ' HG21 ' A' ' 80' ' ' THR . 2.6 m -123.36 -65.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 52' ' ' SER . 99.6 p 178.39 -55.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.161 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.1 30.63 6.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.503 ' N ' HD12 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -151.72 147.98 27.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.965 HD11 HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -140.9 150.55 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.528 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -143.78 125.57 15.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.965 HG23 HD11 ' A' ' 56' ' ' ILE . 99.3 t -133.76 121.96 41.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 47' ' ' VAL . . . -150.1 140.26 22.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.481 ' HG2' HD21 ' A' ' 69' ' ' LEU . 2.0 ptm -116.91 138.32 51.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.7 mt -66.3 139.19 58.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -103.57 -174.25 2.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.06 -19.59 61.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -150.86 49.88 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 144.11 -135.15 6.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -160.9 170.49 20.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.272 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 1.1 ttt180 -144.45 141.54 29.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.8 t -91.55 99.11 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.481 HD21 ' HG2' ' A' ' 60' ' ' MET . 25.2 mt -63.86 -51.67 63.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.486 ' SD ' ' CG ' ' A' ' 22' ' ' TYR . 19.8 ttt -138.38 142.21 39.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.455 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 10.9 tm-20 -171.97 154.71 3.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.466 ' O ' HD22 ' A' ' 109' ' ' LEU . . . 142.65 155.41 6.43 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -71.14 133.52 46.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.503 HD12 ' N ' ' A' ' 55' ' ' SER . 8.7 mt -70.2 164.35 24.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 108' ' ' ILE . 8.3 p -83.76 -19.9 34.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.428 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -143.66 179.45 7.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.596 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -95.86 172.48 7.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.556 ' HA ' HG13 ' A' ' 100' ' ' VAL . 1.9 pp -149.06 -171.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 82' ' ' SER . 11.8 t-20 -117.32 76.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.578 HG21 ' O ' ' A' ' 52' ' ' SER . 57.3 p -37.96 -46.35 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.388 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -53.67 -51.55 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 79' ' ' ASN . 0.7 OUTLIER -74.09 -27.33 60.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.9 m -75.36 163.77 27.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -155.09 179.25 9.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.779 ' HB2' HG22 ' A' ' 95' ' ' VAL . 5.8 p-90 -163.81 124.37 2.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 107.993 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.0 p -115.76 136.78 52.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.911 HD23 HG22 ' A' ' 93' ' ' VAL . 1.2 tm? -99.52 139.69 34.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.823 ' H ' HD22 ' A' ' 87' ' ' LEU . 1.8 mm-40 -119.47 133.28 23.8 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.477 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.2 Cg_endo -74.99 125.92 9.64 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.49 54.14 36.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.46 -97.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -162.14 177.49 9.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.316 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.911 HG22 HD23 ' A' ' 87' ' ' LEU . 55.5 t -104.23 133.66 47.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.69 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.4 tm? -103.09 129.96 50.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.779 HG22 ' HB2' ' A' ' 85' ' ' TRP . 74.7 t -135.92 107.77 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -93.21 130.2 38.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.0 mt -113.94 129.86 56.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.23 109.17 20.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.006 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.536 ' HE2' HD11 ' A' ' 31' ' ' LEU . 78.4 mttt -57.49 152.61 14.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.556 HG13 ' HA ' ' A' ' 78' ' ' ILE . 33.5 m -102.68 44.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.02 -175.72 19.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -75.58 93.96 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -129.07 156.1 44.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.068 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 16.9 p90 -103.36 120.1 40.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 107.99 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.777 ' CB ' HD21 ' A' ' 31' ' ' LEU . 22.0 m95 -105.09 95.08 5.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 108.017 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -100.65 10.59 40.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -178.28 133.02 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.568 ' O ' HG23 ' A' ' 75' ' ' THR . 3.4 mm -70.61 -60.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.466 HD22 ' O ' ' A' ' 72' ' ' GLY . 63.8 mt -97.73 166.3 11.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.86 162.85 28.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 80.46 -51.13 4.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.29 113.56 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -44.88 164.83 0.17 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 125.13 9.16 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 111.04 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.499 HD11 ' OE1' ' A' ' 26' ' ' GLN . 17.5 pt -48.28 174.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -165.04 115.42 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 5.2 mt -42.41 156.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.39 141.35 57.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.1 p -137.88 108.6 6.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 71.81 -148.83 43.83 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.8 37.2 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.506 1.792 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 m -148.06 105.92 3.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.68 139.42 5.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 t -178.32 131.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.992 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.22 98.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.82 68.18 0.55 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t 72.81 -64.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.81 83.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.1 89.89 0.08 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -179.68 -58.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 110.255 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.61 149.83 29.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -90.37 155.49 46.41 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 176.35 10.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.9 p30 -156.24 155.77 32.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.11 -51.24 18.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.7 t80 45.74 93.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -173.71 -56.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -122.93 -83.51 0.64 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.93 122.73 10.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 109.327 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.1 m -106.43 -170.0 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.0 -169.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.251 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -109.99 62.86 0.6 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 110.252 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -172.0 -60.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 39.2 p90 -158.35 127.95 5.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 p -86.7 155.02 20.54 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.523 ' CG ' HG13 ' A' ' 108' ' ' ILE . 16.6 p-90 -163.92 165.03 23.1 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.5 p -153.8 174.14 14.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.619 ' NE2' HG21 ' A' ' 117' ' ' ILE . 1.0 OUTLIER -113.66 130.63 56.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.92 179.82 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -37.91 -52.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 29' ' ' THR . 3.4 t -158.51 68.69 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.386 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 172.82 158.61 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.475 HD22 ' CE3' ' A' ' 105' ' ' TRP . 2.7 mp -117.81 125.94 51.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.32 112.1 22.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -116.85 122.66 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.408 ' CG ' HD23 ' A' ' 94' ' ' LEU . 26.0 mtt180 -108.36 131.92 54.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.518 HG21 HG11 ' A' ' 58' ' ' VAL . 32.2 t -112.25 131.97 22.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.01 141.73 26.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.562 1.822 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.8 m -128.34 158.41 71.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -74.99 179.53 6.0 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.496 1.788 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.99 12.99 9.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.444 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 3.9 p-80 -115.66 -3.41 12.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.593 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.415 HG23 ' HG2' ' A' ' 38' ' ' PRO . 3.6 t -98.97 108.87 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.634 HG12 ' CB ' ' A' ' 89' ' ' PRO . 16.4 m -131.15 -41.26 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -82.31 133.74 35.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.63 -34.88 44.35 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -60.23 -15.42 24.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 0.745 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 40' ' ' HIS . 17.4 mt-30 -78.32 -7.31 57.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.466 ' CG2' ' HG ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -140.19 131.28 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m -97.25 144.66 26.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.029 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.961 HG21 ' CE3' ' A' ' 85' ' ' TRP . 3.2 t -138.59 115.21 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HB3' ' HB3' ' A' ' 57' ' ' ARG . . . -112.84 109.08 18.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.1 mt -109.01 128.45 54.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.676 ' O ' HG21 ' A' ' 80' ' ' THR . 4.1 m -124.8 -66.36 0.97 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 77' ' ' LYS . 26.6 t 173.91 -47.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 74' ' ' LEU . 83.3 p -122.77 31.91 5.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.2 t -158.89 172.65 17.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.99 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.845 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -165.75 155.18 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.845 ' N ' HD13 ' A' ' 56' ' ' ILE . 11.0 ttt180 -143.96 134.38 24.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.793 HG23 HD11 ' A' ' 56' ' ' ILE . 88.2 t -138.23 97.51 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 67' ' ' ARG . . . -122.68 130.94 53.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.64 ' HG2' HD21 ' A' ' 69' ' ' LEU . 1.6 ptm -108.08 135.97 48.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.453 ' O ' ' CE ' ' A' ' 60' ' ' MET . 7.6 mt -65.77 138.29 57.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -101.86 -174.2 2.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.19 -18.76 60.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -151.35 48.88 0.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 145.38 -137.24 6.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.22 166.33 27.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.783 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -141.06 140.14 34.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.3 t -88.18 99.63 9.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.64 HD21 ' HG2' ' A' ' 60' ' ' MET . 34.6 mt -62.59 -60.15 3.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.534 ' HE1' HG21 ' A' ' 108' ' ' ILE . 27.5 ttt -131.94 147.81 52.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -177.83 156.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 140.36 157.79 7.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -74.96 127.28 32.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.554 HD23 HD23 ' A' ' 109' ' ' LEU . 5.2 mt -66.94 173.85 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.3 p -83.89 -35.4 24.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.401 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.541 ' CD2' ' HB3' ' A' ' 103' ' ' TYR . 14.6 m-70 -130.54 171.86 12.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.606 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 53' ' ' SER . 14.6 mttp -80.83 173.14 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.407 ' CG2' ' CZ2' ' A' ' 105' ' ' TRP . 2.2 pp -151.85 166.64 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -95.24 80.24 3.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.676 HG21 ' O ' ' A' ' 52' ' ' SER . 29.6 p -42.47 -35.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.23 -51.15 71.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 37.0 m -75.74 -17.85 59.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 m -82.7 143.16 31.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.8 OUTLIER -138.19 179.26 6.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.961 ' CE3' HG21 ' A' ' 49' ' ' VAL . 4.0 p-90 -158.93 120.97 3.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 107.972 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.9 m -119.26 128.47 54.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.037 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.902 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -93.77 144.37 25.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.902 ' H ' HD22 ' A' ' 87' ' ' LEU . 1.6 mt-10 -123.58 135.57 26.28 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.634 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.03 121.43 6.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 58.05 55.51 30.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.097 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -157.74 -100.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -164.38 177.64 8.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 108.313 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.676 HG22 HD23 ' A' ' 87' ' ' LEU . 53.9 t -104.55 136.03 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.422 HD13 ' N ' ' A' ' 95' ' ' VAL . 2.2 tm? -111.08 132.44 54.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.847 HG22 ' HB2' ' A' ' 85' ' ' TRP . 53.4 t -136.98 141.24 41.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.455 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 4.9 m120 -118.46 113.84 21.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.5 mt -98.06 118.02 33.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.7 142.78 33.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 110.038 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -82.02 137.06 35.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 100' ' ' VAL . 5.1 t -119.48 95.1 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.22 -179.99 50.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -85.08 94.47 8.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.541 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 51.6 m-85 -128.86 155.78 44.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 20.0 p90 -103.72 103.39 13.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.475 ' CE3' HD22 ' A' ' 31' ' ' LEU . 34.9 m95 -80.65 86.43 5.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 108.01 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' A' ' 107' ' ' ALA . 12.1 p30 -91.11 5.33 49.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 106' ' ' ASN . . . 177.46 133.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.534 HG21 ' HE1' ' A' ' 70' ' ' MET . 5.5 mm -56.97 -51.96 61.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.554 HD23 HD23 ' A' ' 74' ' ' LEU . 68.4 mt -105.82 166.95 10.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.68 156.27 27.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.49 -47.59 3.64 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.517 1.136 . . . . 0.0 111.039 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.425 ' HB3' ' HB1' ' A' ' 107' ' ' ALA . 0.3 OUTLIER -48.31 115.02 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.318 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -38.55 151.51 0.18 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 127.21 10.51 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 25.4 pt -48.17 162.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -126.85 54.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.619 HG21 ' NE2' ' A' ' 26' ' ' GLN . 2.1 pp -50.98 178.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -174.12 148.21 1.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.15 153.02 51.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 66.13 175.82 6.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -53.29 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 69.6 p -116.63 115.13 25.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.028 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.2 t 58.79 158.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.969 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -145.8 96.13 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 0.809 . . . . 0.0 109.974 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -121.1 120.39 35.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.6 84.18 0.19 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -159.33 -58.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.766 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 p -88.55 -58.87 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.67 -130.2 9.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -155.49 -59.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.737 . . . . 0.0 110.29 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt 55.81 70.38 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -90.61 135.46 29.2 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 177.68 8.28 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.471 1.774 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.18 -54.75 13.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.465 ' HB2' HG11 ' A' ' 18' ' ' VAL . 54.9 p -84.29 84.04 7.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.947 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -140.01 -54.85 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.5 155.39 23.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.62 -135.1 14.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.441 1.088 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.472 ' O ' ' CD1' ' A' ' 24' ' ' TRP . . . -141.61 134.54 28.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.756 . . . . 0.0 109.236 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.8 ' CG2' HG23 ' A' ' 23' ' ' THR . 1.9 p -154.54 149.83 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.28 -73.24 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -179.33 -37.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.32 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -58.86 -55.18 38.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 31.0 p90 -149.44 129.84 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.8 HG23 ' CG2' ' A' ' 18' ' ' VAL . 1.8 m -87.22 149.81 24.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.628 ' CE3' HD11 ' A' ' 108' ' ' ILE . 21.8 p-90 -155.39 168.62 26.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 108.009 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.8 m -153.44 166.72 31.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.042 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -119.35 122.05 40.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -108.09 178.15 4.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -39.84 -55.78 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.4 71.91 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 169.46 159.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.622 HD11 ' HE2' ' A' ' 99' ' ' LYS . 2.7 mp -123.93 143.19 50.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -132.54 109.12 9.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -122.05 126.69 74.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -118.09 130.02 55.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.631 HG21 HG11 ' A' ' 58' ' ' VAL . 41.1 t -106.0 131.63 21.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.99 138.38 22.99 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.407 ' CG1' HG23 ' A' ' 93' ' ' VAL . 33.1 m -122.99 158.75 56.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.556 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.05 176.93 9.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -84.26 9.45 12.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.556 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 4.4 p-80 -109.57 -3.84 16.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.6 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.418 HG23 ' HG2' ' A' ' 38' ' ' PRO . 16.0 t -102.01 110.54 29.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.631 HG12 ' CB ' ' A' ' 89' ' ' PRO . 16.3 m -134.28 -41.17 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -78.68 147.52 33.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.1 0.6 58.47 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.21 -11.04 36.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -94.96 24.94 4.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.493 HG21 ' HG ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -155.83 140.37 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.11 130.36 55.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.641 HG21 ' CE3' ' A' ' 85' ' ' TRP . 42.8 t -129.8 138.54 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.26 109.39 10.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.0 mt -107.76 123.6 48.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.631 ' O ' HG21 ' A' ' 80' ' ' THR . 3.2 m -124.2 -67.2 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 52' ' ' SER . 79.9 p 176.76 -52.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 74' ' ' LEU . 47.2 p -120.38 27.58 8.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.996 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.82 153.97 40.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.039 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.918 HD11 HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -147.54 146.56 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.729 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.4 OUTLIER -142.97 130.51 21.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.918 HG23 HD11 ' A' ' 56' ' ' ILE . 58.1 t -136.53 113.4 13.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 67' ' ' ARG . . . -135.27 162.9 31.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.407 ' HG2' ' CG ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -142.13 135.0 28.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.589 1.181 . . . . 0.0 110.977 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 12.5 mt -69.97 130.76 43.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -97.26 -67.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -166.58 -68.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -89.81 -5.44 56.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -166.06 -134.78 1.73 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.446 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -157.16 177.41 11.52 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 0.737 . . . . 0.0 110.285 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 14.8 ttt180 -140.86 137.69 33.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.1 t -90.02 99.17 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.363 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.409 HD13 HG12 ' A' ' 35' ' ' VAL . 29.4 mt -62.66 -55.74 24.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 58' ' ' VAL . 21.0 ttt -134.66 143.46 47.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 10.8 tm-20 -171.51 154.99 3.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.659 ' O ' HD22 ' A' ' 109' ' ' LEU . . . 145.08 151.73 5.48 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -68.85 132.0 46.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.252 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 54' ' ' SER . 13.9 mt -67.73 160.91 27.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 108' ' ' ILE . 7.9 p -76.21 -26.35 56.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.428 ' CE1' ' HG1' ' A' ' 75' ' ' THR . 18.4 m80 -141.89 -174.14 4.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.629 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -94.96 163.7 13.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.0 pp -138.61 -175.12 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -110.07 85.74 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.631 HG21 ' O ' ' A' ' 52' ' ' SER . 9.7 p -51.27 -21.1 1.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.384 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -73.54 -51.05 18.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.65 -23.75 45.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.2 m -76.43 143.3 40.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.943 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.446 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.6 OUTLIER -132.3 179.35 6.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.641 ' CE3' HG21 ' A' ' 49' ' ' VAL . 1.1 p-90 -159.8 121.53 3.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 0.0 107.97 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 m -124.2 159.12 30.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.848 HD22 ' H ' ' A' ' 88' ' ' GLU . 1.1 tm? -119.73 141.78 49.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.848 ' H ' HD22 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -123.67 135.52 26.26 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.631 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.99 123.77 8.14 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.47 1.774 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.37 59.41 9.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.433 1.083 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -159.54 -99.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -164.52 177.67 7.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 108.301 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.484 HG22 HD23 ' A' ' 87' ' ' LEU . 44.4 t -104.85 130.87 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.681 HD13 ' N ' ' A' ' 95' ' ' VAL . 2.0 tm? -98.61 138.12 36.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.681 ' N ' HD13 ' A' ' 94' ' ' LEU . 89.3 t -147.85 128.16 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.492 ' O ' HD23 ' A' ' 97' ' ' LEU . 4.1 m120 -110.92 130.2 55.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 96' ' ' ASN . 16.2 mt -116.82 115.17 25.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.89 140.11 31.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.622 ' HE2' HD11 ' A' ' 31' ' ' LEU . 44.9 mttt -87.89 131.7 34.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.7 m -92.07 40.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 144.12 -179.24 21.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -86.4 94.27 9.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 110.317 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -128.87 155.9 44.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.978 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.425 ' CG ' ' O ' ' A' ' 104' ' ' TRP . 20.8 p90 -103.54 93.06 4.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 107.993 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.494 ' CB ' HD21 ' A' ' 31' ' ' LEU . 18.7 m95 -66.71 86.07 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -61.97 -15.63 45.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.432 ' HB1' ' HB3' ' A' ' 112' ' ' GLU . . . -171.28 163.72 7.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.628 HD11 ' CE3' ' A' ' 24' ' ' TRP . 4.6 mm -78.17 -60.04 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.659 HD22 ' O ' ' A' ' 72' ' ' GLY . 43.0 mt -101.13 171.06 7.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -80.09 -11.01 59.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -83.0 -37.33 12.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.432 ' HB3' ' HB1' ' A' ' 107' ' ' ALA . 0.6 OUTLIER -70.16 112.57 6.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 110.31 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -45.21 161.12 0.24 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 161.29 39.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 13.1 pt -105.27 163.66 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.89 76.38 2.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.5 mm -114.23 151.77 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 51.53 89.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.9 t -175.03 75.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 150.13 175.08 21.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -61.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.511 1.795 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.3 t -42.57 -61.24 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.024 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.71 154.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t 64.68 150.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.017 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 p -90.93 122.13 33.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.046 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.79 -117.91 1.76 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.157 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m 75.46 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 p -95.63 142.59 27.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.45 -160.99 19.74 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.106 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 65.7 149.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 0.75 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -71.61 156.89 38.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.51 151.07 32.57 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -167.53 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.53 1.805 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.63 -62.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.8 m -137.53 136.04 37.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -141.32 132.65 26.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 171.06 -52.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -152.26 -104.22 0.26 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.7 160.74 14.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.605 HG13 HG23 ' A' ' 23' ' ' THR . 53.7 t -148.78 117.03 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.27 160.54 14.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -81.49 -55.23 4.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 69' ' ' LEU . 10.5 t30 -46.68 -58.45 3.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 29.2 p90 -147.31 131.31 17.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.605 HG23 HG13 ' A' ' 18' ' ' VAL . 63.6 m -86.47 159.02 19.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.383 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.521 ' CG ' HG13 ' A' ' 108' ' ' ILE . 3.2 p-90 -162.03 160.84 28.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 107.95 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.448 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 5.4 p -153.93 158.67 41.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -110.63 131.94 54.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -115.85 -179.35 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -39.59 -52.26 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.54 ' O ' HG23 ' A' ' 29' ' ' THR . 6.4 t -154.93 68.9 0.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 167.86 171.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.522 HD21 ' CG ' ' A' ' 105' ' ' TRP . 0.3 OUTLIER -131.44 158.03 41.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -139.01 101.45 4.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.445 HG13 ' HB ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -110.18 116.64 52.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 49.5 mtm-85 -109.58 124.5 51.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 73.7 t -106.1 131.13 21.99 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.93 135.58 19.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.771 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.531 ' CG1' HG23 ' A' ' 93' ' ' VAL . 32.5 m -120.21 159.13 48.73 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.56 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.98 176.09 10.37 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -84.31 8.45 16.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.56 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 3.3 p-80 -106.6 -4.41 19.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.583 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.534 HG23 ' CD2' ' A' ' 40' ' ' HIS . 37.7 t -104.28 110.84 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.522 HG12 ' CB ' ' A' ' 89' ' ' PRO . 30.8 m -136.77 15.66 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -139.67 158.94 43.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.15 -22.96 46.55 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 ptmm? -72.11 -16.54 62.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 0.793 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 61' ' ' LEU . 5.8 mt-30 -81.51 -16.43 51.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -119.44 152.08 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.21 124.89 53.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.82 HG21 ' CD2' ' A' ' 85' ' ' TRP . 70.0 t -121.17 106.62 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.848 ' HB3' ' HB2' ' A' ' 57' ' ' ARG . . . -107.27 114.48 28.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.2 mt -118.27 140.37 49.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.605 ' O ' HG21 ' A' ' 80' ' ' THR . 27.9 m -132.4 -65.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.011 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 76.8 p 176.69 -51.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.039 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.0 p -117.1 33.12 5.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.0 t -162.94 174.84 11.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.684 ' CD1' HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -165.1 154.42 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.848 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -135.95 133.45 37.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.684 HG23 ' CD1' ' A' ' 56' ' ' ILE . 63.4 t -138.24 108.54 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.46 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -135.15 156.62 48.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.425 ' HE1' ' CE1' ' A' ' 40' ' ' HIS . 0.9 OUTLIER -137.14 141.38 42.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.51 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 7.4 mt -65.55 130.0 41.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.28 -172.87 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.54 -0.06 56.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 64' ' ' ASN . 11.5 p-10 -158.15 57.01 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.7 121.22 2.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.51 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 2.3 pm0 -44.0 165.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 12.6 ttt180 -132.99 136.17 45.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.521 HG21 ' NH1' ' A' ' 57' ' ' ARG . 71.5 t -82.53 99.94 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.453 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 30.5 mt -65.14 -50.73 64.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.407 ' O ' ' N ' ' A' ' 58' ' ' VAL . 19.0 ttt -139.91 139.66 36.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.451 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 12.3 tm-20 -172.44 148.92 2.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 0.0 110.33 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.457 ' O ' HD22 ' A' ' 109' ' ' LEU . . . 147.54 155.39 6.57 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.03 136.09 56.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 0.794 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.519 HD23 HD23 ' A' ' 109' ' ' LEU . 14.9 mt -76.66 175.83 8.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 108' ' ' ILE . 81.5 p -81.32 -40.95 22.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -130.34 -178.38 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.616 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -89.36 168.15 12.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 80' ' ' THR . 2.0 pp -145.75 -178.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -111.18 77.03 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.605 HG21 ' O ' ' A' ' 52' ' ' SER . 68.2 p -38.03 -47.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -54.25 -51.78 63.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -22.77 61.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.08 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.7 m -78.3 164.51 24.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.5 OUTLIER -147.94 179.45 7.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.82 ' CD2' HG21 ' A' ' 49' ' ' VAL . 3.0 p-90 -163.51 121.65 1.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 108.024 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -114.68 152.83 31.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.92 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -117.34 146.36 43.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.352 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.92 ' H ' HD22 ' A' ' 87' ' ' LEU . 7.1 mt-10 -127.46 135.78 27.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.522 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.95 120.62 6.16 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 57.03 46.77 91.11 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.528 1.143 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -145.31 -99.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -163.54 176.85 9.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 108.331 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.544 HG22 HD23 ' A' ' 87' ' ' LEU . 98.6 t -106.53 134.43 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.791 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.0 OUTLIER -104.07 128.5 51.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.791 ' N ' HD13 ' A' ' 94' ' ' LEU . 61.0 t -130.67 105.39 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.447 ' ND2' HD11 ' A' ' 94' ' ' LEU . 34.7 m120 -89.82 122.71 33.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.1 mt -107.36 125.74 51.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -103.0 105.54 15.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -60.06 143.53 51.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.4 m -90.06 45.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 136.64 172.4 12.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 111.047 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -69.67 94.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -129.08 156.0 44.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.41 ' O ' ' CG ' ' A' ' 104' ' ' TRP . 12.9 p90 -109.48 108.07 18.42 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.522 ' CG ' HD21 ' A' ' 31' ' ' LEU . 9.1 m95 -84.8 90.6 7.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 108.01 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -61.83 -14.73 36.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -169.43 163.46 10.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.521 HG13 ' CG ' ' A' ' 24' ' ' TRP . 10.8 mm -80.25 -60.46 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.519 HD23 HD23 ' A' ' 74' ' ' LEU . 56.0 mt -101.08 168.17 9.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -75.46 151.99 37.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 112' ' ' GLU . . . 88.15 -50.08 3.84 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 111' ' ' GLY . 0.5 OUTLIER -38.8 116.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 110.312 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 112' ' ' GLU . 40.7 mt-10 -39.0 145.57 0.37 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.248 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 129.42 12.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 34.2 pt -51.56 -179.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.83 -60.84 1.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.7 mt -82.04 148.34 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.1 t0 177.4 167.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 99.6 p -58.39 -58.18 9.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.52 -152.11 38.94 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 71.71 4.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.466 1.772 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.34 -57.3 2.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 18.9 p -157.2 98.22 1.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.035 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 t -166.65 -58.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.97 140.03 24.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.975 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.48 -170.02 12.96 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 m 56.08 104.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 109.957 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -81.63 156.85 24.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.04 120.13 1.3 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -162.64 133.02 4.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 110.328 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.39 162.18 14.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -177.98 148.95 0.68 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -43.42 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -159.35 -52.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.3 p -150.07 106.48 3.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.042 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -155.19 100.09 2.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -173.59 -57.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -131.79 -144.92 5.46 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.01 116.68 14.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 0.781 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.3 m -95.73 -173.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.04 152.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.34 -37.09 80.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -55.13 -62.49 1.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 42.4 p90 -161.86 127.46 3.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 p -86.49 151.78 23.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.643 ' CE3' HD11 ' A' ' 108' ' ' ILE . 10.9 p-90 -158.36 168.94 25.62 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.4 m -153.78 153.15 31.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.031 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.4 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 36.0 tt0 -108.3 129.33 55.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -132.74 178.63 6.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.465 ' C ' HG23 ' A' ' 29' ' ' THR . 1.0 OUTLIER -95.12 44.82 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.465 HG23 ' C ' ' A' ' 28' ' ' TYR . 37.7 p -154.19 -56.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.367 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -164.22 171.03 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mp -96.17 130.96 43.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.54 117.72 31.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -128.02 132.88 68.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.418 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 11.8 mtp85 -125.95 134.06 51.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.584 HG12 HD13 ' A' ' 69' ' ' LEU . 38.7 t -111.98 135.45 21.26 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.01 140.46 25.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.55 HG11 HG23 ' A' ' 93' ' ' VAL . 29.1 m -126.92 158.66 67.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.475 ' HG2' HG23 ' A' ' 41' ' ' VAL . 18.4 Cg_endo -74.94 177.28 8.77 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.468 1.772 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt -86.26 13.0 8.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.449 ' O ' ' NE2' ' A' ' 46' ' ' GLN . 3.5 p-80 -114.42 -3.0 13.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.626 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.475 HG23 ' HG2' ' A' ' 38' ' ' PRO . 21.1 t -103.26 112.38 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.522 HG12 ' CB ' ' A' ' 89' ' ' PRO . 18.9 m -131.37 -41.63 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.18 154.1 33.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.74 -16.8 76.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.65 -15.38 59.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 40' ' ' HIS . 7.0 mt-30 -79.43 -3.34 46.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.475 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -137.93 148.03 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.5 m -111.51 140.86 45.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.833 HG21 ' CD2' ' A' ' 85' ' ' TRP . 74.6 t -137.7 127.54 36.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.457 ' HB3' ' CB ' ' A' ' 57' ' ' ARG . . . -132.22 123.66 27.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.407 HD23 HG12 ' A' ' 56' ' ' ILE . 17.7 mt -123.18 134.79 54.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.672 ' O ' HG21 ' A' ' 80' ' ' THR . 16.0 m -126.59 -64.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.6 p 176.54 -53.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.17 33.93 5.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.5 t -163.52 174.14 12.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 1.016 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -165.08 157.15 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 1.016 ' N ' HD13 ' A' ' 56' ' ' ILE . 2.2 ttt180 -138.43 127.56 24.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.74 HG23 ' CD1' ' A' ' 56' ' ' ILE . 47.2 t -134.66 133.78 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.475 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -158.85 158.59 33.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.497 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -139.82 142.13 36.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.497 ' O ' ' CE ' ' A' ' 60' ' ' MET . 12.3 mt -74.7 128.62 36.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -93.07 -75.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.097 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.9 -68.12 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -89.11 -7.27 56.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -164.26 -134.75 1.7 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.468 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -154.94 -179.92 8.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.322 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -146.21 142.64 28.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 58' ' ' VAL . 88.4 t -92.43 97.73 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.584 HD13 HG12 ' A' ' 35' ' ' VAL . 51.1 mt -60.36 -52.6 64.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 20.4 ttt -138.21 145.26 41.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.453 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 10.4 tm-20 -177.98 154.43 0.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.453 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 139.39 160.81 8.49 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -71.5 136.19 47.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.629 HD23 HD23 ' A' ' 109' ' ' LEU . 17.0 mt -74.17 176.65 6.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.2 p -85.8 -30.87 22.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.483 ' NE2' ' CD1' ' A' ' 103' ' ' TYR . 1.6 m80 -139.54 -170.47 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.592 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -93.59 172.94 7.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.441 ' C ' ' CG2' ' A' ' 100' ' ' VAL . 2.3 pp -151.55 179.83 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 83' ' ' SER . 6.7 t-20 -108.54 81.11 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.672 HG21 ' O ' ' A' ' 52' ' ' SER . 69.5 p -46.06 -43.33 14.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -55.74 -51.7 66.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.33 -22.37 59.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 79' ' ' ASN . 17.1 m -73.56 162.03 29.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -152.98 179.34 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.833 ' CD2' HG21 ' A' ' 49' ' ' VAL . 3.5 p-90 -164.59 129.37 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 107.968 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.5 m -125.15 139.37 53.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.877 HD22 ' N ' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -103.07 140.07 37.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.877 ' N ' HD22 ' A' ' 87' ' ' LEU . 1.5 mt-10 -119.66 133.89 23.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.522 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.0 122.0 6.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 58.99 49.49 77.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.056 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.03 -97.71 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -163.35 176.86 9.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 108.326 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.829 HG22 HD23 ' A' ' 87' ' ' LEU . 50.0 t -103.6 131.51 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.733 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.5 tm? -99.76 129.02 45.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.733 ' N ' HD13 ' A' ' 94' ' ' LEU . 78.1 t -136.33 113.23 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -99.99 120.91 40.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.2 mt -109.24 125.03 51.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.2 t -81.15 157.94 25.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -98.08 130.54 44.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.246 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.441 ' CG2' ' C ' ' A' ' 78' ' ' ILE . 3.3 t -110.48 99.82 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 69.98 154.22 1.04 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.7 93.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.483 ' CD1' ' NE2' ' A' ' 76' ' ' HIS . 18.5 m-85 -129.78 155.9 45.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.533 ' CE2' ' HB2' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -79.24 154.39 29.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 108.031 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.498 ' O ' ' CZ2' ' A' ' 104' ' ' TRP . 9.2 m95 -135.32 -73.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 108.037 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.653 ' O ' ' HB2' ' A' ' 107' ' ' ALA . 4.4 m120 50.55 22.75 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.653 ' HB2' ' O ' ' A' ' 106' ' ' ASN . . . 165.18 142.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.643 HD11 ' CE3' ' A' ' 24' ' ' TRP . 2.8 mm -77.17 -59.26 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.629 HD23 HD23 ' A' ' 74' ' ' LEU . 69.5 mt -96.45 164.22 12.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.51 155.71 38.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.74 -48.2 3.84 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.471 ' HB3' ' HB1' ' A' ' 107' ' ' ALA . 0.3 OUTLIER -42.74 113.46 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 0.767 . . . . 0.0 110.261 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.17 149.08 0.25 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 131.22 14.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.467 1.772 . . . . 0.0 111.024 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 7.5 pt -55.19 -170.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.418 ' C ' HD12 ' A' ' 117' ' ' ILE . 22.4 t0 178.15 125.0 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.744 HG22 ' H ' ' A' ' 118' ' ' ASP . 0.7 OUTLIER 49.7 -179.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.744 ' H ' HG22 ' A' ' 117' ' ' ILE . 38.8 m-20 59.46 101.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 42.6 t -174.92 103.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.038 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 115.7 -168.4 12.64 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.143 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 69.93 5.47 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.479 1.778 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.0 p -93.97 138.34 32.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.7 t -81.12 148.79 29.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.5 p -160.39 86.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 62.08 96.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.966 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.35 -172.04 34.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -122.48 143.5 49.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.994 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.3 t -161.69 94.79 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.07 110.31 1.19 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -83.42 126.47 32.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 0.723 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -77.35 -59.44 2.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -149.39 151.48 33.68 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 177.12 9.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.452 1.764 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -48.44 -45.42 36.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 85.4 p -83.11 118.02 23.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.005 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -70.57 -50.45 37.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -84.37 -56.79 3.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.527 ' O ' ' HB2' ' A' ' 17' ' ' ALA . . . 128.38 84.57 0.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 16' ' ' GLY . . . 174.3 125.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.785 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.499 ' HB ' HG23 ' A' ' 23' ' ' THR . 0.7 OUTLIER -163.89 161.0 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.497 ' HG2' ' CZ ' ' A' ' 22' ' ' TYR . 27.8 tpt85 -92.14 -71.18 0.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 21' ' ' ASN . 1.5 pt-20 176.73 -34.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.445 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -114.57 -33.92 5.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.599 ' CD2' ' SD ' ' A' ' 70' ' ' MET . 41.0 p90 -124.8 132.28 53.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.499 HG23 ' HB ' ' A' ' 18' ' ' VAL . 3.0 m -87.24 149.78 24.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.655 ' CE3' HD11 ' A' ' 108' ' ' ILE . 23.7 p-90 -155.64 169.41 24.39 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 p -153.63 150.23 28.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.952 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.691 ' OE1' HD11 ' A' ' 115' ' ' ILE . 3.7 pt20 -108.65 120.98 44.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -131.91 169.97 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.431 ' C ' HG23 ' A' ' 29' ' ' THR . 32.4 m-85 -87.67 45.92 1.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.431 HG23 ' C ' ' A' ' 28' ' ' TYR . 58.2 p -151.77 -50.21 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.374 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.3 p30 -172.69 177.39 2.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.432 HD21 ' CB ' ' A' ' 105' ' ' TRP . 3.2 mp -105.28 123.84 48.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -110.38 111.13 22.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.87 124.66 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 34' ' ' ARG . 8.4 mtm105 -118.19 134.25 55.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.541 HG21 HG11 ' A' ' 58' ' ' VAL . 57.5 t -111.11 133.49 21.3 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.01 139.96 24.85 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.55 1.816 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.478 ' CG1' HG23 ' A' ' 93' ' ' VAL . 28.7 m -125.05 158.55 62.83 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.537 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -74.98 177.65 8.3 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.527 1.804 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -86.14 12.09 10.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.537 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 6.9 p-80 -113.5 -3.0 13.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.621 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.472 HG23 ' HG2' ' A' ' 38' ' ' PRO . 24.5 t -104.21 112.44 37.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.514 HG12 ' CB ' ' A' ' 89' ' ' PRO . 18.6 m -132.22 -41.8 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -77.81 148.38 34.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.5 -11.29 85.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.82 -13.2 57.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.763 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -86.06 3.96 40.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -138.62 143.8 31.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.63 129.4 56.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.733 HG21 ' CE3' ' A' ' 85' ' ' TRP . 91.0 t -132.27 119.1 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -115.73 123.72 49.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 66.6 mt -125.81 132.78 52.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.666 ' O ' HG21 ' A' ' 80' ' ' THR . 58.4 m -133.67 -57.89 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.032 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 52' ' ' SER . 26.0 t 173.76 -51.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.934 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.1 p -123.17 39.11 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.411 ' N ' HD12 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -161.99 146.06 12.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.994 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -144.66 151.37 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.994 ' N ' HD13 ' A' ' 56' ' ' ILE . 3.5 ttt180 -142.08 136.24 29.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.644 HG23 ' CD1' ' A' ' 56' ' ' ILE . 15.0 t -140.65 100.57 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -125.16 158.34 34.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.473 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -138.06 143.75 40.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 12.9 mt -77.67 129.71 35.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -93.63 -71.86 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.21 -67.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.279 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -90.49 -7.7 52.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -162.98 -134.88 1.72 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -156.57 -177.45 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 0.799 . . . . 0.0 110.269 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -149.52 139.38 21.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.403 ' CG1' ' HB2' ' A' ' 71' ' ' GLU . 74.1 t -89.29 97.16 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.473 HD21 ' HG2' ' A' ' 60' ' ' MET . 43.8 mt -59.5 -59.23 5.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.599 ' SD ' ' CD2' ' A' ' 22' ' ' TYR . 18.5 ttt -133.08 131.79 40.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 9.2 tm-20 -161.33 153.06 19.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.809 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 149.22 150.34 5.2 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 110.95 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.87 126.05 28.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.744 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 108' ' ' ILE . 17.2 mt -60.99 158.11 14.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.4 p -72.19 -37.0 69.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -133.49 -174.68 3.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.596 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -90.41 171.86 9.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.411 ' C ' HG13 ' A' ' 100' ' ' VAL . 1.8 pp -146.67 -171.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -114.35 74.83 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.666 HG21 ' O ' ' A' ' 52' ' ' SER . 82.8 p -40.64 -38.64 0.92 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.435 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -58.51 -50.85 72.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.5 m -77.24 -22.75 51.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.9 m -74.81 159.04 32.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -151.4 179.45 8.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.733 ' CE3' HG21 ' A' ' 49' ' ' VAL . 3.7 p-90 -164.4 127.22 2.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 107.996 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.1 p -125.45 139.42 53.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.836 HD22 ' H ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -101.25 139.9 36.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.836 ' H ' HD22 ' A' ' 87' ' ' LEU . 3.4 mt-10 -119.23 133.4 23.74 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.514 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.03 124.75 8.84 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.02 45.88 85.92 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.08 -101.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -160.93 177.0 10.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 108.324 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.628 HG22 HD23 ' A' ' 87' ' ' LEU . 61.3 t -101.25 134.72 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.514 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.9 tm? -102.36 132.58 48.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.514 ' N ' HD13 ' A' ' 94' ' ' LEU . 93.4 t -139.08 124.99 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.446 ' O ' HD23 ' A' ' 97' ' ' LEU . 1.7 m120 -112.56 127.12 55.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 96' ' ' ASN . 16.2 mt -115.63 118.65 33.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.12 111.49 23.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.559 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 21.8 mttt -58.06 142.42 46.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.411 HG13 ' C ' ' A' ' 78' ' ' ILE . 18.5 m -88.75 44.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 128.23 175.23 14.0 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.4 94.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -128.51 155.87 44.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 16.6 t-105 -104.61 118.35 36.37 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.559 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 13.8 m95 -98.97 125.29 44.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 108.042 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -109.33 -1.59 18.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.47 ' HB1' ' HB3' ' A' ' 112' ' ' GLU . . . -175.56 161.66 2.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.655 HD11 ' CE3' ' A' ' 24' ' ' TRP . 8.6 mm -85.96 -45.51 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.809 HD13 ' HA3' ' A' ' 72' ' ' GLY . 42.6 mt -113.28 162.1 16.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -71.53 -14.84 62.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -77.89 -39.56 23.96 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.47 ' HB3' ' HB1' ' A' ' 107' ' ' ALA . 51.1 tt0 -71.04 105.91 3.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.773 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -41.26 156.41 0.21 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 112.45 3.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.691 HD11 ' OE1' ' A' ' 26' ' ' GLN . 41.3 pt -46.58 158.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.08 94.18 4.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 2.0 pp -74.62 -3.67 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.1 t70 52.85 98.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.4 t -56.06 95.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -153.79 165.24 31.51 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.51 1.132 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 102.54 1.6 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.79 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.4 m 56.17 170.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 67.2 m -119.21 151.65 38.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.94 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.57 161.48 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 110.009 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 p -160.15 115.21 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.98 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.21 165.45 14.62 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.444 1.09 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.2 m -112.4 -58.81 2.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 0.735 . . . . 0.0 110.051 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 p 45.09 79.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.86 -149.72 21.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -123.7 -59.91 1.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -129.49 117.9 21.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -124.28 147.42 54.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 173.71 14.03 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.49 1.784 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.69 -52.25 9.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.07 147.73 45.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -54.09 158.28 2.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -40.56 110.32 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -171.28 -119.75 0.52 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.32 110.31 4.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.747 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.3 m -100.28 -172.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -177.28 147.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -68.86 -26.13 64.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -72.94 -53.92 10.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 25.9 p90 -165.22 131.96 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 m -86.92 148.99 25.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 110.45 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.517 ' CG ' HG13 ' A' ' 108' ' ' ILE . 16.1 p-90 -159.78 162.34 34.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 107.963 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 82.0 p -152.58 175.97 12.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -136.72 111.99 9.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -131.2 141.49 50.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 57.44 -83.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.7 t -167.08 53.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.42 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -154.0 164.86 37.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.49 HD21 ' HB3' ' A' ' 105' ' ' TRP . 1.8 mp -123.94 110.87 15.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.57 109.22 21.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.37 132.42 67.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.82 133.06 55.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.422 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 44.1 t -111.35 129.24 24.27 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 137.88 22.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.1 m -123.66 158.59 58.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.563 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -74.94 176.84 9.36 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.782 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -86.27 13.38 8.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.563 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 6.3 p-80 -113.73 -3.9 13.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.576 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.493 HG23 ' HG2' ' A' ' 38' ' ' PRO . 38.1 t -103.8 110.59 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.5 HG12 ' CB ' ' A' ' 89' ' ' PRO . 15.7 m -128.62 -40.7 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -79.23 156.13 28.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.8 -26.01 57.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -10.77 60.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -86.21 -2.29 58.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -139.53 134.01 38.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.6 124.23 41.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.713 HG21 ' CE3' ' A' ' 85' ' ' TRP . 77.1 t -127.32 116.21 43.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.47 ' HB3' ' CB ' ' A' ' 57' ' ' ARG . . . -114.86 108.22 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.6 mt -93.71 126.62 38.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.76 148.52 47.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 77' ' ' LYS . 1.6 m -51.22 -29.37 14.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.4 ' C ' ' OG ' ' A' ' 55' ' ' SER . 3.1 p -149.73 61.19 1.0 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.057 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.4 ' OG ' ' C ' ' A' ' 54' ' ' SER . 0.0 OUTLIER 168.63 138.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 1.036 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -135.84 148.91 27.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 1.036 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -136.74 129.37 30.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.74 HG23 ' CD1' ' A' ' 56' ' ' ILE . 88.1 t -132.68 133.16 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.424 ' O ' ' HA ' ' A' ' 47' ' ' VAL . . . -159.36 149.85 19.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.53 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -128.14 132.32 48.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.475 ' O ' ' CE ' ' A' ' 60' ' ' MET . 7.9 mt -62.52 138.09 58.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -107.16 -174.64 2.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -68.34 -33.92 75.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -135.94 57.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.75 -135.03 7.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.01 178.94 9.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -149.65 143.41 25.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.323 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 58' ' ' VAL . 57.3 t -94.41 98.49 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.173 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.53 HD21 ' HG2' ' A' ' 60' ' ' MET . 29.1 mt -62.88 -53.55 52.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.416 ' O ' ' N ' ' A' ' 58' ' ' VAL . 24.7 ttt -137.93 154.33 49.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.419 ' CG ' ' N ' ' A' ' 72' ' ' GLY . 45.3 tt0 170.68 154.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.419 ' N ' ' CG ' ' A' ' 71' ' ' GLU . . . 147.54 159.52 8.42 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.16 121.01 22.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.503 HD23 HD23 ' A' ' 109' ' ' LEU . 53.9 mt -57.94 164.45 2.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.4 p -73.27 -47.19 45.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -127.87 174.72 8.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.608 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 53' ' ' SER . 19.9 mmtt -70.37 169.01 14.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.535 HD12 ' N ' ' A' ' 79' ' ' ASN . 2.0 pp -145.88 -166.84 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.535 ' N ' HD12 ' A' ' 78' ' ' ILE . 3.3 t-20 -120.35 89.27 3.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.419 HG23 ' HA ' ' A' ' 53' ' ' SER . 38.7 p -62.32 -24.36 67.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -70.48 -52.52 21.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.8 m -74.81 -30.69 61.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.7 m -64.22 160.9 17.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.13 . . . . 0.0 109.966 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 1.1 pp -151.95 179.35 8.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.713 ' CE3' HG21 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -164.57 123.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.2 m -124.43 129.06 49.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 110.006 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.851 HD22 ' H ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -90.0 140.65 29.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.851 ' H ' HD22 ' A' ' 87' ' ' LEU . 1.4 mt-10 -121.08 134.16 24.33 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.5 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.98 122.87 7.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.32 55.14 31.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.23 -100.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.2 p -164.51 177.43 8.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 108.241 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.52 HG22 HD23 ' A' ' 87' ' ' LEU . 72.5 t -103.86 129.89 55.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.42 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.6 tm? -103.53 129.98 50.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.686 HG22 ' HB2' ' A' ' 85' ' ' TRP . 76.7 t -135.98 144.92 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.618 ' O ' HD23 ' A' ' 97' ' ' LEU . 4.0 m120 -125.53 129.59 50.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.618 HD23 ' O ' ' A' ' 96' ' ' ASN . 22.4 mt -121.32 122.93 40.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.52 99.06 10.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.563 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 8.8 ptpt -62.54 93.58 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.411 HG13 ' C ' ' A' ' 78' ' ' ILE . 18.1 m -44.73 145.2 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 56.9 -151.61 25.48 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.75 93.75 4.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' A' ' 103' ' ' TYR . 8.4 m-85 -129.27 144.15 51.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.603 ' O ' ' CE3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -73.93 128.88 36.68 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.563 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 17.0 m95 -112.25 87.73 2.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 107.993 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.576 ' O ' ' HB2' ' A' ' 107' ' ' ALA . 4.4 m-20 -95.16 23.76 5.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 106' ' ' ASN . . . 171.49 138.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.517 HG13 ' CG ' ' A' ' 24' ' ' TRP . 5.2 mm -72.18 -54.15 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.503 HD23 HD23 ' A' ' 74' ' ' LEU . 34.9 mt -102.39 163.66 12.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -15.61 59.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 110.324 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -75.64 -25.06 68.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.133 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -89.96 118.82 29.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -52.65 165.39 0.55 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 107.71 2.55 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 14.2 pt -44.66 167.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.07 -32.67 6.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 1.8 mp -64.04 120.47 10.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.7 t0 57.47 94.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 75.0 m -72.53 -60.38 2.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -141.7 157.52 26.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -53.94 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 30.9 t 63.37 83.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.046 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.1 m -129.35 -58.21 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.438 1.086 . . . . 0.0 111.043 -179.947 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t 65.58 147.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.768 . . . . 0.0 109.991 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 m -46.26 158.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.55 69.72 1.34 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.559 1.162 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -148.51 105.81 3.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 0.0 110.006 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 p -91.8 111.77 23.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.052 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.53 62.1 2.99 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -95.07 109.51 21.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.766 . . . . 0.0 110.334 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.52 -52.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -51.9 139.19 32.8 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.49 ' O ' ' CB ' ' A' ' 12' ' ' ASP . 18.3 Cg_endo -74.98 -1.39 11.16 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 11' ' ' PRO . 5.7 t0 80.66 122.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 p -172.32 84.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.953 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -95.99 57.39 1.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -177.52 171.11 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.44 42.54 1.93 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -175.79 110.0 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.3 m -118.61 163.6 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.153 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.01 14.43 2.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 66.04 -78.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 69' ' ' LEU . 44.3 t30 -44.14 -50.96 8.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 30.2 p90 -154.45 130.48 10.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -87.09 154.77 20.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.42 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.486 ' CG ' HG13 ' A' ' 108' ' ' ILE . 16.3 p-90 -161.18 163.84 30.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 108.025 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.8 p -152.76 177.14 11.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -142.56 119.77 11.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -133.63 132.67 41.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.242 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 65.16 -70.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.7 OUTLIER -179.19 59.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.436 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -151.99 170.23 20.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mp -133.17 101.11 5.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.79 109.59 21.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.403 HG21 ' SD ' ' A' ' 70' ' ' MET . 0.2 OUTLIER -112.91 125.39 70.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -111.08 129.74 55.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.584 HG21 HG11 ' A' ' 58' ' ' VAL . 10.2 t -110.92 133.03 21.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -74.98 139.61 24.53 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.466 1.772 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.469 ' CG1' HG23 ' A' ' 93' ' ' VAL . 31.2 m -123.69 159.11 57.15 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.594 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.1 Cg_endo -75.07 176.54 9.79 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.481 1.779 . . . . 0.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -84.95 9.61 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.594 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 4.8 p-80 -108.98 -3.78 17.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.477 HG23 ' CD2' ' A' ' 40' ' ' HIS . 25.8 t -103.23 111.4 32.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.508 HG12 ' CB ' ' A' ' 89' ' ' PRO . 31.4 m -137.29 13.7 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -137.63 159.78 41.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -80.12 -34.27 30.36 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.561 1.163 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.5 -17.04 63.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.759 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -80.49 -11.85 59.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -131.95 131.33 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.43 120.54 33.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.848 HG11 ' CG ' ' A' ' 85' ' ' TRP . 39.4 t -125.11 114.83 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.527 ' HB3' ' HB3' ' A' ' 57' ' ' ARG . . . -114.22 109.17 17.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.2 mt -92.07 121.12 33.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.16 148.5 50.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.993 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -51.34 -28.69 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.992 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.3 p -150.21 58.35 0.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 170.59 138.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 1.003 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -135.63 148.98 28.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 1.003 ' N ' HD13 ' A' ' 56' ' ' ILE . 27.6 ttt180 -134.26 133.4 40.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.322 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.618 HG23 ' CD1' ' A' ' 56' ' ' ILE . 22.2 t -134.68 122.56 39.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.452 ' HB2' HG22 ' A' ' 68' ' ' VAL . . . -148.46 158.6 44.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.506 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -137.17 145.02 43.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.506 ' O ' ' CE ' ' A' ' 60' ' ' MET . 16.6 mt -78.04 128.77 34.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -93.09 -72.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -162.66 -67.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -87.7 -6.73 58.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -166.49 -133.94 1.61 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.469 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -156.04 175.13 14.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.737 . . . . 0.0 110.304 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -141.39 136.87 31.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.712 HG11 ' OE1' ' A' ' 71' ' ' GLU . 69.7 t -88.06 99.18 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.447 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 38.3 mt -61.51 -59.92 4.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.403 ' SD ' HG21 ' A' ' 33' ' ' VAL . 13.4 ttt -127.57 145.97 50.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.712 ' OE1' HG11 ' A' ' 68' ' ' VAL . 1.4 tt0 -173.09 155.01 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.662 ' O ' HD22 ' A' ' 109' ' ' LEU . . . 145.64 150.4 5.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -72.59 119.06 16.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 0.777 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.468 HD23 HD23 ' A' ' 109' ' ' LEU . 53.1 mt -48.59 170.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.4 p -86.89 -40.08 15.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.498 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 4.9 m-70 -125.86 174.33 8.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -80.08 156.66 26.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.465 HD11 HG22 ' A' ' 80' ' ' THR . 1.9 pp -134.54 -172.74 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -119.17 88.42 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.465 HG22 HD11 ' A' ' 78' ' ' ILE . 68.0 p -58.12 -16.61 13.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.404 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -76.47 -44.72 34.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.81 -18.45 27.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.049 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.3 m -74.37 160.09 31.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.985 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.3 OUTLIER -155.21 179.52 9.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.848 ' CG ' HG11 ' A' ' 49' ' ' VAL . 2.6 p-90 -162.26 137.06 6.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.01 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.1 m -127.4 153.7 45.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.992 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.922 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -116.28 146.48 42.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.922 ' H ' HD22 ' A' ' 87' ' ' LEU . 9.2 mt-10 -127.23 135.48 27.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.508 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.1 Cg_endo -75.05 119.18 5.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 58.27 49.33 77.01 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -149.13 -99.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.2 p -163.75 173.64 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.313 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.469 HG23 ' CG1' ' A' ' 37' ' ' VAL . 75.7 t -99.78 143.46 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.586 HD13 ' N ' ' A' ' 95' ' ' VAL . 2.4 tm? -111.12 132.19 54.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.586 ' N ' HD13 ' A' ' 94' ' ' LEU . 74.4 t -134.78 128.41 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.589 ' O ' HD23 ' A' ' 97' ' ' LEU . 2.1 m120 -113.2 126.96 56.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 96' ' ' ASN . 21.4 mt -120.58 119.31 32.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.94 117.82 33.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.513 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 24.3 mttt -61.65 141.84 57.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.403 HG13 ' HA ' ' A' ' 78' ' ' ILE . 24.6 m -94.51 45.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.02 -141.92 13.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -125.11 94.62 4.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -127.72 155.65 43.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -81.71 115.57 21.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 107.979 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.513 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 10.7 m95 -99.27 -70.25 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 107.969 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.503 ' OD1' ' CB ' ' A' ' 114' ' ' PRO . 0.6 OUTLIER 79.56 -54.59 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -124.62 160.23 28.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.486 HG13 ' CG ' ' A' ' 24' ' ' TRP . 6.2 mm -77.05 -54.21 13.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.662 HD22 ' O ' ' A' ' 72' ' ' GLY . 30.1 mt -107.3 169.78 8.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -76.7 156.69 32.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 88.13 -56.15 4.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -40.67 115.55 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.77 . . . . 0.0 110.334 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -38.42 148.62 0.23 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.503 ' CB ' ' OD1' ' A' ' 106' ' ' ASN . 18.3 Cg_endo -74.98 131.97 14.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.54 1.811 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.484 HD12 HG13 ' A' ' 117' ' ' ILE . 39.3 pt -58.27 157.38 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.84 73.65 4.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.484 HG13 HD12 ' A' ' 115' ' ' ILE . 6.2 mm -116.81 133.68 62.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -132.42 136.05 46.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.71 154.64 40.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -162.55 -145.38 4.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -42.44 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.49 1.784 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.69 -57.55 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.0 t 54.08 103.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -131.08 91.78 3.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.752 . . . . 0.0 109.989 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t 66.51 153.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.35 124.24 8.17 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.22 102.96 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 0.744 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -133.69 159.69 39.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.9 110.43 3.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -97.56 -66.62 0.89 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 0.777 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.17 70.78 0.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 177.58 122.8 0.18 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -54.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.527 1.804 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 179.06 164.16 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.8 p 40.11 82.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -133.77 -61.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -116.97 126.2 52.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 17' ' ' ALA . . . 52.44 173.99 0.04 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.417 1.073 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.707 ' O ' HG12 ' A' ' 18' ' ' VAL . . . 67.5 174.83 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 0.796 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.925 ' CG2' HG23 ' A' ' 23' ' ' THR . 10.6 p 50.35 173.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.6 ' H ' HG22 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -177.74 -177.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.94 74.57 9.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 175.91 -59.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 31.0 p90 -153.64 133.06 12.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.103 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.925 HG23 ' CG2' ' A' ' 18' ' ' VAL . 20.8 m -86.41 154.75 20.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.516 ' CG ' HG13 ' A' ' 108' ' ' ILE . 5.2 p-90 -159.26 161.9 36.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.0 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.0 m -150.84 158.25 43.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.967 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -112.24 126.69 55.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.365 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -113.81 176.32 5.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -37.3 -59.27 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -148.15 66.8 1.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.43 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.413 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 0.7 OUTLIER 172.47 167.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.578 HD11 ' HE3' ' A' ' 99' ' ' LYS . 0.7 OUTLIER -133.42 158.55 42.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -144.15 106.34 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.41 122.54 68.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 0.0 OUTLIER -111.31 132.21 54.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.459 HG21 HG11 ' A' ' 58' ' ' VAL . 3.4 t -113.27 127.51 26.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 136.59 20.59 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.9 m -120.41 158.51 50.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.547 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.1 Cg_endo -75.06 177.39 8.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 110.963 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.71 12.61 8.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.547 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 8.2 p-80 -114.7 -2.86 12.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.473 1.108 . . . . 0.0 109.61 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.458 HG23 ' HG2' ' A' ' 38' ' ' PRO . 17.4 t -103.89 111.06 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.524 HG12 ' CB ' ' A' ' 89' ' ' PRO . 15.5 m -130.78 -41.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.64 152.09 28.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.61 -7.74 87.78 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.448 1.093 . . . . 0.0 111.045 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -83.04 -13.45 55.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 0.769 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 61' ' ' LEU . 9.7 mt-30 -83.49 -21.9 32.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -114.79 149.57 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 109.309 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.08 134.13 55.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.664 HG21 ' CE3' ' A' ' 85' ' ' TRP . 55.6 t -133.16 130.83 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -126.94 123.42 37.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.8 mt -122.88 121.83 37.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.558 ' O ' HG21 ' A' ' 80' ' ' THR . 1.9 m -123.64 -65.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 52' ' ' SER . 93.1 p 177.64 -50.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.97 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.05 33.74 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.966 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.4 151.62 30.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.837 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -150.6 148.09 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.837 ' N ' HD13 ' A' ' 56' ' ' ILE . 2.7 ttt180 -143.81 133.72 24.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.701 HG23 HD11 ' A' ' 56' ' ' ILE . 43.1 t -137.08 107.38 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.498 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -128.47 159.36 35.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.464 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -139.93 144.96 37.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.464 ' O ' ' CE ' ' A' ' 60' ' ' MET . 8.2 mt -74.58 129.2 37.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -96.51 -62.53 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -168.38 -78.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.56 -11.77 59.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -157.05 -133.4 1.6 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.462 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 1.3 pm0 -156.94 175.91 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.423 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 26.7 ttp180 -138.45 147.15 42.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 79.8 t -97.88 97.18 5.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.8 mt -59.79 -59.24 5.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.513 ' SD ' ' CG ' ' A' ' 22' ' ' TYR . 24.5 ttt -131.41 144.66 51.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 111.051 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.448 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 12.6 tm-20 -172.51 151.95 2.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.807 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 151.09 153.34 6.13 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.115 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -74.68 114.48 13.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.41 HD23 HD23 ' A' ' 109' ' ' LEU . 18.4 mt -47.11 170.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.1 p -85.26 -38.77 18.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -131.2 173.86 10.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.618 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -82.08 161.89 22.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.9 pp -138.03 -171.24 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 80' ' ' THR . 16.5 t-20 -116.96 78.08 1.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.558 HG21 ' O ' ' A' ' 52' ' ' SER . 49.0 p -37.35 -43.48 0.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -53.65 -54.39 38.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.9 -31.19 67.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.9 m -71.94 136.45 46.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.476 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -122.58 178.96 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.717 ' HB2' HG22 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -164.87 122.44 1.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 108.044 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.7 m -129.71 130.82 45.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.903 HD22 ' N ' ' A' ' 88' ' ' GLU . 0.7 OUTLIER -90.65 141.52 28.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.903 ' N ' HD22 ' A' ' 87' ' ' LEU . 4.8 mt-10 -119.48 133.63 23.8 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.524 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.0 126.79 10.2 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.445 1.761 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 52.81 42.56 59.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -142.14 -104.59 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.4 p -164.08 177.03 8.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 108.278 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 35' ' ' VAL . 79.0 t -99.06 145.0 11.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.748 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.4 tm? -125.8 127.99 46.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.748 ' N ' HD13 ' A' ' 94' ' ' LEU . 74.4 t -136.36 140.84 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.474 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 2.5 m120 -117.1 123.69 47.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.4 mt -105.77 113.88 27.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.42 101.8 14.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.578 ' HE3' HD11 ' A' ' 31' ' ' LEU . 12.6 mttt -55.47 140.33 40.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 26.1 m -89.93 43.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 141.81 169.54 12.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -71.42 94.2 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -128.89 156.16 44.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.463 ' CG ' ' O ' ' A' ' 104' ' ' TRP . 17.4 p90 -105.46 93.41 4.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 107.999 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.544 ' CB ' HD21 ' A' ' 31' ' ' LEU . 9.4 m95 -69.52 88.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -55.8 -20.6 15.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.435 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . . . -161.49 -175.91 5.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.516 HG13 ' CG ' ' A' ' 24' ' ' TRP . 6.9 mm -97.18 -47.67 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.807 HD13 ' HA3' ' A' ' 72' ' ' GLY . 59.4 mt -109.21 174.02 6.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -81.5 -18.17 46.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -103.74 48.14 1.04 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -133.74 170.77 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 110.28 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -88.58 144.37 33.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.345 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -175.3 2.29 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.506 1.793 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.4 pt -132.11 -174.69 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -165.25 115.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 117' ' ' ILE . 5.9 mm -46.62 128.25 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -112.2 -45.41 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 53.9 p -72.14 124.33 24.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.019 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -168.55 -145.01 4.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 141.1 26.19 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 18.3 m -60.06 93.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.955 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.1 m -145.57 110.81 5.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.028 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 110.942 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.5 m 62.19 108.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 110.015 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.02 -58.49 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.045 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.74 -137.61 7.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.113 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.93 129.9 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 0.765 . . . . 0.0 109.97 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 m -82.64 160.11 22.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.28 89.92 0.19 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.558 1.161 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -157.13 87.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt 64.9 163.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -82.42 139.57 44.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 175.59 11.04 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.513 1.797 . . . . 0.0 111.027 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.32 -54.01 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.1 p -93.72 -64.34 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.0 t80 46.0 90.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.8 m120 59.8 166.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.45 131.24 3.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.22 121.61 7.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.2 m -97.17 -172.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.44 153.65 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -76.04 -10.9 59.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.477 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 7.9 t30 -91.4 -53.58 4.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.477 ' CD2' ' HB3' ' A' ' 21' ' ' ASN . 30.7 p90 -157.32 135.36 10.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -86.43 142.83 28.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.561 ' CZ2' ' HA ' ' A' ' 107' ' ' ALA . 19.0 p-90 -152.9 160.07 43.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 108.035 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.1 m -147.9 162.55 39.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -118.81 130.98 56.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -117.42 179.5 4.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -39.72 -59.0 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 111.05 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 29' ' ' THR . 6.8 t -151.05 75.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.377 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 165.97 142.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mp -113.9 152.6 30.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.443 ' OE2' HD21 ' A' ' 94' ' ' LEU . 2.1 tt0 -148.74 118.05 6.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.342 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -123.63 130.93 73.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.572 ' CZ ' HD23 ' A' ' 94' ' ' LEU . 36.9 mtt85 -114.62 131.71 56.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.574 HG21 HG11 ' A' ' 58' ' ' VAL . 56.8 t -113.21 131.68 22.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.03 141.53 26.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.956 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.543 HG11 HG23 ' A' ' 93' ' ' VAL . 28.4 m -126.52 158.43 67.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.498 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.06 177.08 9.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -84.78 10.05 12.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.498 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 4.1 p-80 -111.14 -3.21 15.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.605 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.443 HG23 ' HG2' ' A' ' 38' ' ' PRO . 13.5 t -102.83 111.25 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.561 HG12 ' CB ' ' A' ' 89' ' ' PRO . 22.2 m -133.47 -41.88 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -84.02 127.84 34.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -50.41 -29.56 17.09 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -13.09 43.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -80.31 -14.26 58.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.245 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -129.43 156.37 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -118.11 139.91 50.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.843 HG21 ' CE3' ' A' ' 85' ' ' TRP . 39.6 t -137.3 135.54 47.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.412 ' HB3' ' HB2' ' A' ' 57' ' ' ARG . . . -132.8 124.26 27.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.0 mt -123.72 117.26 24.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.613 ' O ' HG21 ' A' ' 80' ' ' THR . 0.1 OUTLIER -121.07 -64.09 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' ' 52' ' ' SER . 79.8 p 176.48 -52.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.033 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.84 36.15 4.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.4 147.33 20.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 1.013 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -142.98 150.83 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 1.013 ' N ' HD13 ' A' ' 56' ' ' ILE . 1.1 ttt180 -139.69 131.71 27.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.628 HG23 ' CD1' ' A' ' 56' ' ' ILE . 10.7 t -140.9 104.77 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.536 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -130.44 157.66 42.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.527 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -138.47 143.84 39.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.496 ' O ' ' CE ' ' A' ' 60' ' ' MET . 14.0 mt -77.37 132.33 38.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -95.86 -68.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -164.4 -67.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -92.21 -6.31 50.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -162.17 -135.12 1.76 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.474 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 1.7 pm0 -158.29 176.59 12.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 0.78 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -142.05 139.26 32.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.8 t -88.15 97.2 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.527 HD21 ' HG2' ' A' ' 60' ' ' MET . 43.1 mt -60.36 -55.42 33.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 58' ' ' VAL . 17.3 ttt -141.68 145.14 34.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 72' ' ' GLY . 59.3 tt0 -179.01 158.04 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.49 ' O ' HD22 ' A' ' 109' ' ' LEU . . . 142.36 157.22 7.07 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -65.64 126.93 29.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.2 mt -66.44 162.42 20.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 109' ' ' LEU . 44.4 p -71.33 -42.51 68.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.439 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.569 ' CD2' ' CD1' ' A' ' 103' ' ' TYR . 43.0 m80 -128.56 -176.11 3.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.591 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 53' ' ' SER . 37.4 mttt -88.59 170.63 10.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.413 ' CG2' ' CZ2' ' A' ' 105' ' ' TRP . 2.3 pp -150.42 164.99 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.364 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 82' ' ' SER . 1.2 t-20 -95.76 77.93 3.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.613 HG21 ' O ' ' A' ' 52' ' ' SER . 69.9 p -38.2 -34.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.419 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -56.67 -53.26 59.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 79' ' ' ASN . 5.2 m -74.37 -28.26 61.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.2 m -68.93 142.79 54.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -136.7 179.49 6.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.843 ' CE3' HG21 ' A' ' 49' ' ' VAL . 1.1 p-90 -165.19 127.23 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.6 p -129.86 129.24 43.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.855 HD23 HG22 ' A' ' 93' ' ' VAL . 0.9 OUTLIER -90.46 140.54 29.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.855 ' H ' HD22 ' A' ' 87' ' ' LEU . 1.4 mt-10 -119.57 133.43 23.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.26 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.561 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.98 122.61 7.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.459 1.768 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 57.16 48.96 75.83 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -151.36 -101.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -161.68 176.22 11.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 108.318 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.855 HG22 HD23 ' A' ' 87' ' ' LEU . 53.7 t -108.53 123.31 64.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.767 HD13 ' C ' ' A' ' 94' ' ' LEU . 1.5 tm? -98.39 127.74 44.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.649 HG22 ' HB2' ' A' ' 85' ' ' TRP . 69.7 t -131.66 116.77 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.04 128.64 44.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.2 mt -111.83 136.95 50.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.2 t -94.07 152.07 19.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.531 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 18.6 mttt -89.32 139.54 30.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.3 t -128.21 93.27 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.81 158.43 30.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -69.57 94.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.569 ' CD1' ' CD2' ' A' ' 76' ' ' HIS . 20.2 m-85 -128.58 155.39 45.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 26.2 p90 -100.43 99.16 9.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 108.032 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.531 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 31.9 m95 -74.17 83.56 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.013 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -73.91 -5.07 38.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.903 ' HB1' ' HG2' ' A' ' 112' ' ' GLU . . . -177.23 -172.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.462 HD11 ' CE3' ' A' ' 24' ' ' TRP . 4.9 mm -100.94 -53.22 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.49 HD22 ' O ' ' A' ' 72' ' ' GLY . 78.2 mt -102.94 -177.11 3.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -94.89 -27.84 15.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 112' ' ' GLU . . . -66.58 -37.88 92.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.06 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.903 ' HG2' ' HB1' ' A' ' 107' ' ' ALA . 0.2 OUTLIER -52.74 -172.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.31 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -110.72 140.96 23.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.348 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 119.2 5.55 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.9 pt -73.51 172.01 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 117' ' ' ILE . 1.0 OUTLIER -88.38 75.94 8.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.75 HG22 ' H ' ' A' ' 118' ' ' ASP . 1.9 mm 44.87 -168.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.75 ' H ' HG22 ' A' ' 117' ' ' ILE . 0.9 OUTLIER -66.22 -55.22 17.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.5 p 52.82 174.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -149.85 148.56 19.97 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 122' ' ' SER . 18.5 Cg_endo -74.97 56.93 4.38 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.454 1.765 . . . . 0.0 111.025 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 121' ' ' PRO . 0.3 OUTLIER 38.86 80.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.02 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.14 93.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.5 t -134.02 152.55 51.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 109.993 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -146.7 84.85 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.55 126.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.071 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.5 p -148.35 97.62 2.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -128.5 -58.93 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.61 62.3 6.48 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -71.72 112.34 7.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 110.305 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.02 140.47 53.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -156.3 143.72 13.87 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -46.98 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.54 1.811 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -147.69 -56.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 t -148.83 80.34 1.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -46.92 -56.67 5.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.58 100.98 4.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.85 -179.14 48.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.59 133.23 53.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.0 t -147.94 138.16 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.05 166.97 23.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.38 56.12 3.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 110.271 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -148.99 -58.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.546 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 38.4 p90 -164.79 130.3 2.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.8 m -87.02 148.99 25.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.505 ' CD2' HG12 ' A' ' 108' ' ' ILE . 5.5 p-90 -146.78 161.91 39.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 107.952 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.465 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 8.4 p -147.91 169.51 19.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.986 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -126.03 140.36 52.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.358 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.462 ' OD1' ' CB ' ' A' ' 30' ' ' ASP . 0.9 OUTLIER -132.75 -179.18 5.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 27' ' ' ASP . 3.1 m-85 -37.12 -62.23 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.9 p -148.95 75.92 1.32 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.383 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.462 ' CB ' ' OD1' ' A' ' 27' ' ' ASP . 0.2 OUTLIER 166.96 162.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.504 HD11 ' HE3' ' A' ' 99' ' ' LYS . 1.9 mp -128.49 145.34 51.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -129.63 113.11 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -122.83 117.04 50.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -106.85 126.54 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.685 HG21 HG11 ' A' ' 58' ' ' VAL . 58.5 t -106.81 130.19 23.26 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.99 139.03 23.83 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.491 1.785 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.427 ' CG1' HG23 ' A' ' 93' ' ' VAL . 32.6 m -123.83 159.18 57.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.48 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.03 176.98 9.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -85.92 12.38 9.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.48 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 4.4 p-80 -113.38 -3.74 13.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.606 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.438 HG23 ' HG2' ' A' ' 38' ' ' PRO . 12.1 t -101.48 103.67 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.525 HG12 ' CB ' ' A' ' 89' ' ' PRO . 12.1 m -125.46 -39.21 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -82.19 139.49 34.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.73 -1.57 58.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -10.81 35.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 0.804 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -94.88 17.7 13.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.14 129.21 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.35 121.14 41.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 110.049 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.57 HG21 ' CZ3' ' A' ' 85' ' ' TRP . 42.7 t -128.56 131.6 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 57' ' ' ARG . . . -127.28 111.88 14.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.427 1.08 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.473 HD23 ' HA ' ' A' ' 51' ' ' LEU . 15.0 mt -92.05 117.87 30.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.498 ' C ' ' CG2' ' A' ' 80' ' ' THR . 4.7 m -117.05 168.69 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 77' ' ' LYS . 3.5 m -72.9 -33.37 65.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.9 p -138.47 38.93 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 m -167.83 173.98 7.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.995 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -164.36 153.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.142 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.995 ' N ' HD13 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -136.84 135.71 38.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.685 HG11 HG21 ' A' ' 35' ' ' VAL . 11.3 t -141.35 105.02 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 67' ' ' ARG . . . -132.13 155.01 48.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.481 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -132.22 137.94 47.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.422 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 14.4 mt -73.79 133.32 43.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -98.64 -65.0 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.66 -66.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -90.64 -7.23 53.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -163.94 -133.82 1.55 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.422 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -160.05 -178.25 6.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.785 . . . . 0.0 110.312 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 8.1 ttt180 -146.06 140.64 26.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.36 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.0 t -90.62 101.97 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.481 HD21 ' HG2' ' A' ' 60' ' ' MET . 33.4 mt -66.77 -48.55 68.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.511 ' HE3' HG21 ' A' ' 108' ' ' ILE . 20.1 ttt -145.16 133.11 21.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -164.29 149.59 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.737 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 148.55 158.36 7.97 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.28 139.67 50.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.476 HD23 HD23 ' A' ' 109' ' ' LEU . 16.1 mt -75.22 169.11 18.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.3 p -78.93 -45.09 21.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.386 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 38.4 m80 -126.61 161.15 28.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.609 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 53' ' ' SER . 6.4 mmtt -66.25 168.27 8.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' SER . 1.7 pp -147.56 -166.91 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.404 ' N ' HD12 ' A' ' 78' ' ' ILE . 6.7 t-20 -121.75 85.38 2.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.498 ' CG2' ' C ' ' A' ' 52' ' ' SER . 25.2 p -48.58 -40.86 28.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.435 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -55.44 -55.38 32.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.401 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 0.3 OUTLIER -71.51 -25.89 62.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.0 m -77.02 139.94 40.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' A' ' 96' ' ' ASN . 1.1 pp -137.33 179.17 6.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.732 ' HB2' HG22 ' A' ' 95' ' ' VAL . 5.6 p-90 -159.77 150.84 19.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 107.968 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.8 m -140.87 159.01 43.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.855 HD22 ' H ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -114.24 140.65 48.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.855 ' H ' HD22 ' A' ' 87' ' ' LEU . 6.1 mt-10 -122.45 133.44 24.4 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.525 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.93 119.0 5.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 57.31 50.6 63.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -149.85 -102.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -163.45 175.28 10.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 108.355 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.427 HG23 ' CG1' ' A' ' 37' ' ' VAL . 97.5 t -103.65 138.15 29.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.767 HD13 ' N ' ' A' ' 95' ' ' VAL . 2.1 tm? -110.3 134.55 52.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.767 ' N ' HD13 ' A' ' 94' ' ' LEU . 66.9 t -136.83 123.34 29.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.568 ' HB2' HD12 ' A' ' 84' ' ' LEU . 17.9 m120 -105.55 114.14 28.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.0 mt -103.12 120.28 40.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.401 ' CB ' ' HB3' ' A' ' 82' ' ' SER . 0.4 OUTLIER -97.85 125.63 42.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.512 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 15.5 mttt -76.52 149.65 36.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 17.1 m -92.37 42.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 143.9 -163.61 27.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -95.97 94.76 7.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -128.32 155.24 44.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.561 ' O ' ' CD1' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -104.85 112.1 25.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 108.019 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.512 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 8.3 m95 -91.13 119.95 31.67 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -92.24 -16.72 25.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.452 ' HB1' ' HB3' ' A' ' 112' ' ' GLU . . . -165.49 157.6 15.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.511 HG21 ' HE3' ' A' ' 70' ' ' MET . 4.8 mm -76.6 -61.34 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.737 HD13 ' HA3' ' A' ' 72' ' ' GLY . 21.2 mt -97.56 156.97 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -66.97 -12.94 61.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -108.94 42.38 1.97 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.452 ' HB3' ' HB1' ' A' ' 107' ' ' ALA . 1.2 tp10 -134.71 123.36 23.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -43.63 144.39 1.37 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.75 30.68 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.791 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 35.9 pt -105.81 -179.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 117' ' ' ILE . 12.4 t0 -126.48 -56.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.507 HD12 ' H ' ' A' ' 118' ' ' ASP . 0.9 OUTLIER 35.28 -150.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.507 ' H ' HD12 ' A' ' 117' ' ' ILE . 10.8 m-20 -74.5 158.29 34.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.69 174.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.027 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 80.73 161.98 26.69 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 126.59 10.07 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.02 123.77 28.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -133.69 145.68 50.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.135 . . . . 0.0 110.947 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t 64.81 111.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 110.036 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.54 143.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.81 116.65 0.59 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.562 1.164 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t 52.45 88.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 110.049 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 t -150.9 -58.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.69 65.61 0.74 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.115 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.66 111.47 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.473 ' O ' ' ND2' ' A' ' 10' ' ' ASN . 0.3 OUTLIER -164.54 -60.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER 179.13 155.68 0.62 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -45.69 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -166.62 -52.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 t -177.52 120.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.985 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -106.72 85.27 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -174.29 -59.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 149.49 167.96 14.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 62.9 114.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 0.782 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 17' ' ' ALA . 51.6 t -155.95 136.58 4.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -135.16 163.15 30.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -91.21 56.8 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -157.67 -53.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.532 ' CG ' ' SD ' ' A' ' 70' ' ' MET . 48.0 p90 -160.93 130.63 4.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.9 m -86.93 156.24 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.557 ' CZ3' HD23 ' A' ' 31' ' ' LEU . 6.5 p-90 -163.41 163.88 24.81 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.3 m -151.41 159.79 44.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.026 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -112.9 132.14 55.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.336 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -113.94 177.87 4.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -43.72 -41.75 5.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.449 ' O ' HG23 ' A' ' 29' ' ' THR . 3.4 t -162.84 69.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 110.44 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 165.69 158.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.557 HD23 ' CZ3' ' A' ' 24' ' ' TRP . 1.0 OUTLIER -125.45 159.23 32.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -146.74 104.77 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.65 116.57 52.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 28.8 mtm180 -106.55 123.61 48.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.097 . . . . 0.0 110.271 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.591 HG21 HG11 ' A' ' 58' ' ' VAL . 95.1 t -104.38 133.12 20.37 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.94 137.12 21.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.565 ' CG1' HG23 ' A' ' 93' ' ' VAL . 32.9 m -122.78 158.78 55.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.5 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.97 179.11 6.39 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -86.91 12.9 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.5 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 5.3 p-80 -114.77 -3.72 12.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.589 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.458 HG23 ' HG2' ' A' ' 38' ' ' PRO . 16.3 t -102.07 109.81 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.515 HG12 ' CB ' ' A' ' 89' ' ' PRO . 15.8 m -130.04 -41.51 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.48 144.85 37.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.38 -2.73 84.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.156 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -15.91 28.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.755 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -83.18 7.92 14.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -140.65 140.31 33.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 m -106.44 139.33 41.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.624 HG21 ' CD2' ' A' ' 85' ' ' TRP . 78.9 t -138.96 119.97 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -113.32 120.12 40.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 51' ' ' LEU . 23.2 mt -119.07 124.2 46.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.701 ' O ' HG21 ' A' ' 80' ' ' THR . 17.1 m -128.38 -58.84 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.1 t 172.25 -59.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.003 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.0 p -114.7 31.43 6.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.969 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.28 145.02 22.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 1.01 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -142.83 151.59 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 1.01 ' N ' HD13 ' A' ' 56' ' ' ILE . 8.5 ttt180 -140.01 134.35 31.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.675 HG23 ' CD1' ' A' ' 56' ' ' ILE . 21.2 t -139.07 98.15 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 47' ' ' VAL . . . -122.97 151.45 41.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.577 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -128.79 145.12 51.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.405 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 11.8 mt -78.26 128.64 34.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 64' ' ' ASN . 6.8 mm-40 -106.97 38.22 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 66.42 -73.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 62' ' ' GLU . 3.3 m-20 -64.09 -32.02 73.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.85 -131.35 1.21 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -158.31 172.86 17.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 110.302 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -149.03 142.78 25.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.8 t -87.54 98.83 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.577 HD21 ' HG2' ' A' ' 60' ' ' MET . 37.2 mt -62.48 -54.62 37.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.532 ' SD ' ' CG ' ' A' ' 22' ' ' TYR . 20.5 ttt -139.15 133.57 31.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.443 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 9.5 tm-20 -162.73 152.08 15.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.443 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 151.49 159.28 8.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.23 112.77 14.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.774 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 108' ' ' ILE . 8.9 mt -48.42 172.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 108' ' ' ILE . 81.0 p -88.07 -38.96 15.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 105' ' ' TRP . 17.8 m80 -126.1 176.42 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.625 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -90.52 166.24 13.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.498 ' HA ' HG13 ' A' ' 100' ' ' VAL . 1.8 pp -140.48 -172.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 83' ' ' SER . 7.5 t-20 -111.79 79.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.701 HG21 ' O ' ' A' ' 52' ' ' SER . 80.2 p -47.55 -23.33 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.437 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -73.0 -41.9 63.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.46 ' N ' ' HG3' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -94.25 -9.54 35.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.966 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' ASN . 3.8 m -82.27 149.76 27.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.015 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -145.72 179.78 7.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.768 ' HB2' HG22 ' A' ' 95' ' ' VAL . 7.6 p-90 -164.79 129.25 2.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 107.976 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.99 153.4 33.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.831 HD22 ' N ' ' A' ' 88' ' ' GLU . 1.1 tm? -114.0 139.02 49.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.153 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.831 ' N ' HD22 ' A' ' 87' ' ' LEU . 3.3 mm-40 -119.44 132.73 23.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.515 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.96 124.5 8.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.15 44.74 88.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -146.04 -101.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -162.87 166.54 23.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 108.284 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.766 HG22 HD23 ' A' ' 87' ' ' LEU . 88.0 t -92.36 142.6 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.788 HD13 ' N ' ' A' ' 95' ' ' VAL . 0.9 OUTLIER -113.91 131.94 56.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.788 ' N ' HD13 ' A' ' 94' ' ' LEU . 71.0 t -135.32 106.44 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -88.54 125.99 35.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 15.6 mt -112.73 116.56 30.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 m -92.19 109.24 20.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.484 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 28.9 mttt -55.21 145.35 21.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.498 HG13 ' HA ' ' A' ' 78' ' ' ILE . 30.2 m -91.25 42.44 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 128.52 -178.82 16.96 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.44 94.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.286 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -128.33 155.69 44.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -107.68 112.79 25.66 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.549 ' CZ2' ' HB2' ' A' ' 76' ' ' HIS . 14.3 m95 -95.6 126.99 41.26 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -107.31 -9.95 15.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -171.03 163.8 7.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.552 HD11 ' CE3' ' A' ' 24' ' ' TRP . 3.3 mm -88.42 -59.38 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.425 HD22 ' C ' ' A' ' 72' ' ' GLY . 69.8 mt -101.26 167.12 10.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -73.51 154.56 39.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.306 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.19 -48.69 4.08 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -39.86 114.33 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 0.78 . . . . 0.0 110.32 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -39.07 147.99 0.27 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 160.16 40.54 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.505 1.792 . . . . 0.0 110.969 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 22.5 pt -96.98 169.16 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -163.19 115.09 1.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.458 HD12 ' N ' ' A' ' 117' ' ' ILE . 1.9 mp -86.19 121.6 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -100.91 157.04 17.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.357 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.9 t -90.54 -61.17 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -85.36 157.36 31.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 114.91 4.14 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.479 1.778 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.5 t -123.31 155.86 36.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 m 178.97 97.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.057 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.08 106.44 2.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 0.786 . . . . 0.0 109.994 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.15 110.22 11.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.3 172.81 29.3 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -88.46 143.62 26.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.21 103.95 16.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.92 -103.58 0.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.45 1.094 . . . . 0.0 111.031 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 50.9 90.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 110.258 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.55 -65.57 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.96 138.77 20.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 178.43 7.26 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 111.057 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -90.87 78.36 6.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.52 ' HA ' HG11 ' A' ' 18' ' ' VAL . 0.3 OUTLIER 178.75 111.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 0.0 109.954 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -111.04 -174.25 2.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -70.45 155.06 41.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.17 -64.28 0.75 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.43 1.081 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.552 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -56.4 179.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 17' ' ' ALA . 1.1 m 46.83 -176.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.401 ' N ' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER 177.55 -172.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -83.58 -41.61 17.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -48.44 -62.39 1.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 34.0 p90 -156.86 135.17 11.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 85.1 m -86.58 159.26 19.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.364 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.523 ' CD2' HG12 ' A' ' 108' ' ' ILE . 4.3 p-90 -162.67 161.34 26.46 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.99 175.63 12.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.014 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.92 108.1 4.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -133.08 142.79 48.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 60.85 -78.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.4 t -176.26 53.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.0 p30 -152.47 174.47 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.561 HD21 ' CG ' ' A' ' 105' ' ' TRP . 0.4 OUTLIER -132.14 115.17 15.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.61 101.97 10.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -109.15 116.36 51.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.5 mtt180 -106.48 131.06 54.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 48.1 t -113.19 131.55 22.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.0 Cg_endo -75.04 142.66 28.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.523 1.801 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.489 HG11 HG23 ' A' ' 93' ' ' VAL . 28.0 m -127.65 158.67 69.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.622 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.0 177.27 8.81 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -86.11 12.52 9.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.622 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 8.0 p-80 -113.63 -3.59 13.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.62 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.46 HG23 ' HG2' ' A' ' 38' ' ' PRO . 21.2 t -103.27 110.38 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.517 HG12 ' CB ' ' A' ' 89' ' ' PRO . 16.5 m -129.79 -41.34 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -79.35 147.15 32.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.44 -16.18 80.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.83 -13.77 59.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' LEU . 6.8 mt-30 -80.64 -15.77 55.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -124.17 143.42 37.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.1 m -105.49 137.58 43.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.045 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.885 HG21 ' CD2' ' A' ' 85' ' ' TRP . 47.3 t -133.85 103.99 5.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.26 112.65 25.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.412 ' HB3' HG22 ' A' ' 80' ' ' THR . 61.0 mt -112.3 136.58 51.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.592 ' O ' HG21 ' A' ' 80' ' ' THR . 24.7 m -127.52 -70.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.032 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 77' ' ' LYS . 95.1 p 179.3 -48.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 74' ' ' LEU . 5.4 p -119.68 31.51 6.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.6 t -162.1 173.84 13.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.017 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 1.015 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -165.06 156.47 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 1.015 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -138.54 130.57 28.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.662 HG23 ' CD1' ' A' ' 56' ' ' ILE . 19.8 t -136.53 97.42 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.486 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -120.95 159.19 26.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.613 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -139.11 143.94 38.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 12.6 mt -76.55 132.71 39.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -97.59 -68.04 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.16 -69.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -90.47 -8.01 51.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.93 -136.07 1.94 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.474 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -157.24 -177.49 6.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 0.78 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 1.9 ttt180 -148.68 143.0 26.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.258 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.4 t -91.48 97.26 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.613 HD21 ' HG2' ' A' ' 60' ' ' MET . 51.4 mt -57.14 -60.11 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.534 ' HE1' HG21 ' A' ' 108' ' ' ILE . 25.4 ttt -132.09 144.72 50.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 14.2 tm-20 -175.77 148.61 0.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.552 ' O ' HD22 ' A' ' 109' ' ' LEU . . . 149.6 153.49 6.07 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -68.47 125.25 25.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 0.813 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.6 HD23 HD23 ' A' ' 109' ' ' LEU . 9.2 mt -64.92 174.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.7 p -83.13 -35.51 25.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.433 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.449 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 5.2 m-70 -132.67 176.7 8.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.576 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 53' ' ' SER . 16.3 mttp -87.41 159.98 18.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.467 HG23 ' CZ2' ' A' ' 105' ' ' TRP . 2.1 pp -136.56 176.69 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.705 ' CG ' HG12 ' A' ' 100' ' ' VAL . 40.3 m-20 -104.03 82.5 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.592 HG21 ' O ' ' A' ' 52' ' ' SER . 2.4 p -46.98 -27.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -71.11 -50.79 29.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.71 -19.73 58.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.9 m -78.86 161.23 26.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -150.78 179.63 8.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.885 ' CD2' HG21 ' A' ' 49' ' ' VAL . 2.6 p-90 -164.6 130.74 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.32 135.16 50.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.858 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -97.08 140.78 31.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.858 ' H ' HD22 ' A' ' 87' ' ' LEU . 15.2 mt-10 -120.14 133.4 23.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.517 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.93 124.3 8.56 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.94 46.68 83.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -148.61 -101.36 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -161.92 173.54 14.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 108.3 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.743 HG22 HD23 ' A' ' 87' ' ' LEU . 36.6 t -100.83 135.91 34.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.518 HD13 ' N ' ' A' ' 95' ' ' VAL . 2.2 tm? -105.46 132.38 51.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.612 HG22 ' HB2' ' A' ' 85' ' ' TRP . 72.9 t -137.36 119.31 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.457 ' O ' HD23 ' A' ' 97' ' ' LEU . 2.4 m120 -102.83 132.47 49.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.458 HD22 HD13 ' A' ' 78' ' ' ILE . 19.9 mt -120.4 118.05 29.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.83 109.54 22.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.957 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -55.27 141.55 35.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.705 HG12 ' CG ' ' A' ' 79' ' ' ASN . 35.1 m -92.21 41.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.31 175.24 13.81 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.137 . . . . 0.0 110.957 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -69.54 94.26 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 0.738 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -129.07 155.95 44.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.466 ' CG ' ' O ' ' A' ' 104' ' ' TRP . 13.7 p90 -111.98 93.01 4.24 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.561 ' CG ' HD21 ' A' ' 31' ' ' LEU . 10.6 m95 -73.27 84.88 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.025 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -58.7 -17.21 20.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -164.58 161.22 20.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.534 HG21 ' HE1' ' A' ' 70' ' ' MET . 15.2 mm -74.87 -60.58 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.6 HD23 HD23 ' A' ' 74' ' ' LEU . 34.5 mt -103.62 175.15 5.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -77.39 165.55 24.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 78.9 -54.64 4.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -39.86 114.57 0.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 110.292 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 114' ' ' PRO . 31.6 mt-10 -39.01 138.07 0.86 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 113' ' ' GLU . 18.4 Cg_endo -75.02 123.1 7.62 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.545 1.813 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 17.5 pt -45.3 167.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 117' ' ' ILE . 0.9 OUTLIER -91.13 79.22 5.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 116' ' ' ASP . 1.4 mp -39.64 115.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.46 -47.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.7 m 58.89 114.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.975 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -112.26 -146.17 9.98 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 122.09 7.01 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.74 161.77 20.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.39 80.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.76 -58.37 7.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 110.048 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.0 103.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.971 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.82 -90.49 0.08 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m -81.86 166.17 20.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.749 . . . . 0.0 110.055 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 m 62.86 154.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.018 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.93 97.33 2.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -150.52 -59.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 0.731 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.38 166.05 15.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -147.87 146.19 23.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -177.65 3.62 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 111.012 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.95 130.29 36.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.674 ' O ' HG11 ' A' ' 18' ' ' VAL . 55.8 p 52.97 100.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.968 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.483 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 2.3 p90 -148.85 130.33 14.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 179.02 -50.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -125.99 -100.64 1.21 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -129.35 119.53 24.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.674 HG11 ' O ' ' A' ' 13' ' ' SER . 10.1 m -103.81 171.55 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -166.58 164.68 16.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -81.12 63.5 5.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -162.68 -62.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.533 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 42.8 p90 -159.45 129.46 5.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.621 HG21 ' CB ' ' A' ' 13' ' ' SER . 2.2 p -86.49 157.96 19.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 110.433 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.526 ' CE2' HG12 ' A' ' 108' ' ' ILE . 8.0 p-90 -163.81 165.98 22.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 108.017 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.5 p -149.12 156.03 41.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.402 ' HB3' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -108.27 127.47 53.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.265 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -114.86 170.18 8.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -38.16 -33.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 29' ' ' THR . 7.7 t -172.32 73.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.371 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 t70 170.86 154.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.444 HD23 ' CZ3' ' A' ' 24' ' ' TRP . 2.4 mp -129.14 114.68 16.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.11 107.57 18.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.137 . . . . 0.0 110.259 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.15 134.38 54.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.16 131.21 53.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.544 HG12 HD13 ' A' ' 69' ' ' LEU . 92.1 t -110.78 130.41 22.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 138.4 22.97 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.53 1.805 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.405 ' HB ' ' HD2' ' A' ' 38' ' ' PRO . 32.6 m -121.41 159.65 49.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.591 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.05 -178.86 4.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.73 10.27 21.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.591 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 3.6 p-80 -108.38 -5.57 16.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.575 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.541 HG23 ' CD2' ' A' ' 40' ' ' HIS . 10.0 t -101.08 99.71 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.548 HG12 ' CB ' ' A' ' 89' ' ' PRO . 27.5 m -142.94 16.63 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.85 -87.83 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 154.63 -33.77 0.69 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.7 pttt -76.65 -11.8 59.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 0.794 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 61' ' ' LEU . 22.6 mt-30 -76.4 -26.63 55.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -109.98 141.29 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -112.85 153.87 27.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.938 HG21 ' CD2' ' A' ' 85' ' ' TRP . 65.7 t -140.97 131.85 27.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.654 ' HB3' ' CB ' ' A' ' 57' ' ' ARG . . . -127.42 110.75 13.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.2 mt -114.45 123.17 48.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.733 ' O ' HG21 ' A' ' 80' ' ' THR . 7.5 m -119.04 -65.97 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 52' ' ' SER . 29.1 t 174.16 -55.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.0 p -114.94 26.31 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.027 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.2 t -155.11 175.06 14.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.811 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -164.75 155.68 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.811 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -143.33 132.06 22.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.749 HG23 HD11 ' A' ' 56' ' ' ILE . 78.5 t -138.07 131.03 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 47' ' ' VAL . . . -151.1 164.01 37.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.541 ' HE1' ' CE1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -147.37 139.16 24.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.991 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.484 ' O ' ' CE ' ' A' ' 60' ' ' MET . 12.8 mt -73.23 129.21 37.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -95.61 -67.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.01 -72.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.33 -8.69 57.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.91 -135.53 1.83 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.468 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -154.74 -173.21 4.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.291 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 6.3 ttt180 -152.91 139.62 18.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 58' ' ' VAL . 81.9 t -89.53 96.99 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.544 HD13 HG12 ' A' ' 35' ' ' VAL . 28.7 mt -59.35 -50.92 72.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' VAL . 25.8 ttt -139.62 143.76 37.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' A' ' 72' ' ' GLY . 0.0 OUTLIER -175.75 152.41 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.28 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.438 ' N ' ' OE1' ' A' ' 71' ' ' GLU . . . 140.11 157.53 7.27 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.563 1.164 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.74 138.98 55.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.793 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.531 HD23 HD23 ' A' ' 109' ' ' LEU . 14.7 mt -78.75 176.22 9.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.0 p -83.82 -33.05 25.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.393 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 103' ' ' TYR . 68.9 m-70 -137.59 -173.35 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.585 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 53' ' ' SER . 9.8 mttt -90.2 169.61 10.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.4 pp -148.9 159.83 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -86.42 83.65 7.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.733 HG21 ' O ' ' A' ' 52' ' ' SER . 16.9 p -51.2 -21.05 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -76.02 -41.22 51.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.324 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.64 -10.82 41.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 14.9 m -89.02 120.59 30.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.517 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.9 OUTLIER -114.86 179.47 3.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 1.003 ' HB2' HG22 ' A' ' 95' ' ' VAL . 1.6 p-90 -159.75 126.97 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 108.019 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.9 m -119.99 149.32 42.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.894 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER -106.03 141.95 36.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.894 ' H ' HD22 ' A' ' 87' ' ' LEU . 2.4 mt-10 -123.46 134.22 25.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.548 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -74.98 120.23 5.99 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.6 47.21 78.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -144.21 -102.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.4 p -163.86 167.89 20.18 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.12 . . . . 0.0 108.301 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 35' ' ' VAL . 43.0 t -94.42 130.23 43.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.501 HD13 ' N ' ' A' ' 95' ' ' VAL . 2.6 tm? -106.9 129.37 54.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 1.003 HG22 ' HB2' ' A' ' 85' ' ' TRP . 64.6 t -135.97 129.23 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.517 ' HB2' HD12 ' A' ' 84' ' ' LEU . 4.3 m-20 -101.11 113.49 26.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.6 mt -101.65 115.13 29.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.3 146.34 27.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -83.19 134.33 34.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 100' ' ' VAL . 16.5 t -115.99 92.99 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.58 150.4 10.2 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.442 1.089 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.21 93.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.317 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.567 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 30.6 m-85 -129.3 156.03 44.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.502 ' O ' ' CD2' ' A' ' 76' ' ' HIS . 1.2 t-105 -88.84 116.36 27.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 108.027 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.452 ' O ' ' CB ' ' A' ' 106' ' ' ASN . 11.7 m95 -91.55 -75.26 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 108.009 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 105' ' ' TRP . 1.5 t-20 78.4 -52.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.349 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -128.93 161.29 30.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.526 HG12 ' CE2' ' A' ' 24' ' ' TRP . 10.1 mm -77.91 -58.83 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.531 HD23 HD23 ' A' ' 74' ' ' LEU . 64.6 mt -102.69 160.98 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.34 -17.81 57.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -71.07 -30.29 67.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -72.09 -163.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.352 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.96 157.89 51.58 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 109.88 3.01 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.448 ' CG1' ' OD1' ' A' ' 106' ' ' ASN . 43.8 pt -51.05 158.87 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.22 -52.51 2.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 3.0 mm -40.68 135.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 66.67 92.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.9 t -166.68 119.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -63.08 -162.38 0.34 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 58.03 4.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.83 125.32 37.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.45 158.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.487 1.117 . . . . 0.0 110.963 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.03 88.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 109.966 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.3 p -122.9 109.94 14.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.965 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.47 -84.35 0.56 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 m -96.66 149.82 21.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -68.19 100.49 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.59 -137.54 46.94 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -123.35 151.48 42.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 0.735 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.36 101.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 60.09 157.55 0.1 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -43.31 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.15 144.31 35.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.467 ' OG ' HG21 ' A' ' 18' ' ' VAL . 5.9 t 59.89 92.13 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.037 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -76.58 -50.53 13.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.957 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -168.84 144.18 3.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.68 -171.28 18.38 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.479 ' CB ' ' CE2' ' A' ' 24' ' ' TRP . . . -79.27 113.57 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.559 HG22 HG22 ' A' ' 23' ' ' THR . 97.4 t -129.99 145.17 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.425 ' O ' ' HB3' ' A' ' 20' ' ' GLU . 38.1 tpt85 -105.87 -77.59 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.425 ' HB3' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER 170.74 40.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 21' ' ' ASN . 2.1 p30 -175.78 -40.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.549 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 38.3 p90 -138.93 129.86 26.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.559 HG22 HG22 ' A' ' 18' ' ' VAL . 2.3 p -89.01 149.8 23.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.364 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.699 ' CE3' HD11 ' A' ' 108' ' ' ILE . 19.1 p-90 -154.8 163.77 39.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 107.992 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.4 p -153.97 160.19 41.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.972 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -108.27 125.59 51.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -105.36 -178.63 3.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -38.4 -58.1 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.1 t -151.59 70.49 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 165.54 150.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.13 155.33 18.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -142.51 107.54 4.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -121.35 120.11 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -108.45 123.25 48.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.506 HG21 HG11 ' A' ' 58' ' ' VAL . 48.0 t -101.38 129.52 26.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 136.71 20.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.776 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.4 m -121.46 158.97 52.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.535 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.96 175.94 10.56 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.462 1.77 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -83.56 7.76 16.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.535 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 2.8 p-80 -106.39 -4.69 19.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.622 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.468 HG23 ' CD2' ' A' ' 40' ' ' HIS . 25.5 t -102.45 109.27 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.549 HG12 ' CB ' ' A' ' 89' ' ' PRO . 30.0 m -137.27 19.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -142.85 146.63 34.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.441 ' O ' HG23 ' A' ' 47' ' ' VAL . . . -70.47 -25.83 75.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.19 -14.73 61.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -81.74 5.01 19.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.234 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 44' ' ' GLY . 0.1 OUTLIER -139.93 169.11 16.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.437 ' OG ' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -129.13 126.25 38.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.841 HG21 ' CD2' ' A' ' 85' ' ' TRP . 54.1 t -126.13 131.6 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -129.13 110.91 12.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.9 mt -111.66 128.12 55.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.524 ' O ' HG21 ' A' ' 80' ' ' THR . 0.6 OUTLIER -132.92 -59.79 0.88 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 52' ' ' SER . 14.6 t 170.78 -45.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.39 38.46 3.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.996 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.94 153.08 32.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.659 HD11 HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -149.85 142.83 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -143.93 122.88 12.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.659 HG23 HD11 ' A' ' 56' ' ' ILE . 49.0 t -132.41 96.94 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.46 ' HB2' HG22 ' A' ' 68' ' ' VAL . . . -124.21 129.79 51.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.522 ' HG2' HD11 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -103.26 143.48 32.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.5 ' O ' ' CE ' ' A' ' 60' ' ' MET . 8.4 mt -71.68 139.54 49.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -105.64 -173.17 2.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -68.77 -38.24 79.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -134.63 54.68 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 142.12 -141.16 10.61 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.12 169.55 22.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 33.4 ttp180 -139.11 141.19 38.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.46 HG22 ' HB2' ' A' ' 59' ' ' ALA . 94.0 t -94.43 97.11 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.522 HD11 ' HG2' ' A' ' 60' ' ' MET . 22.8 mt -64.05 -50.71 67.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.674 ' HE3' HG21 ' A' ' 108' ' ' ILE . 27.7 ttt -141.33 145.58 35.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 11.6 tm-20 -177.55 151.32 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.484 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 147.63 148.96 4.86 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.76 115.18 7.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.454 HD23 HD23 ' A' ' 109' ' ' LEU . 47.4 mt -52.46 174.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.465 ' CG2' ' O ' ' A' ' 107' ' ' ALA . 44.4 p -93.05 -37.69 12.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.448 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.418 ' NE2' ' HB3' ' A' ' 104' ' ' TRP . 0.3 OUTLIER -119.63 174.42 6.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -91.84 159.15 15.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.497 ' CG2' ' CZ2' ' A' ' 105' ' ' TRP . 2.2 pp -139.77 157.2 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.416 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 3.4 t-20 -88.41 81.41 7.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.524 HG21 ' O ' ' A' ' 52' ' ' SER . 52.4 p -40.33 -39.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.399 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -51.91 -57.83 8.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.09 -29.91 68.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.048 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.5 m -66.67 162.46 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.511 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -151.67 178.65 9.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.841 ' CD2' HG21 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -164.97 125.54 1.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.412 ' O ' HG13 ' A' ' 93' ' ' VAL . 75.2 m -128.06 162.71 26.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.915 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.7 OUTLIER -119.35 144.94 46.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.915 ' H ' HD22 ' A' ' 87' ' ' LEU . 3.3 mm-40 -127.32 135.8 27.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.549 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.0 118.72 5.37 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.766 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.2 51.66 54.49 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -150.12 -102.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.336 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.2 p -164.03 175.42 10.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 108.289 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 86' ' ' SER . 45.9 t -102.54 130.69 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.545 HD13 ' N ' ' A' ' 95' ' ' VAL . 2.5 tm? -96.9 129.32 44.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.545 ' N ' HD13 ' A' ' 94' ' ' LEU . 86.8 t -137.9 136.54 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.476 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 3.4 m120 -126.82 112.22 15.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.439 ' HB3' HG21 ' A' ' 78' ' ' ILE . 17.6 mt -92.51 118.32 30.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.416 ' CB ' ' HB3' ' A' ' 79' ' ' ASN . 24.7 t -70.5 138.85 51.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.603 ' HB3' ' CD1' ' A' ' 103' ' ' TYR . 2.0 mmtp -84.19 145.48 28.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.486 HG13 ' HA ' ' A' ' 78' ' ' ILE . 1.7 m -132.27 144.05 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.369 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.656 ' O ' ' CD1' ' A' ' 103' ' ' TYR . . . 36.81 -138.14 0.47 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.51 1.131 . . . . 0.0 111.031 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -68.66 102.38 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.656 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 4.4 m-30 -67.0 93.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.418 ' HB3' ' NE2' ' A' ' 76' ' ' HIS . 9.7 t-105 -117.04 92.66 3.92 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.505 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 60.0 m95 -123.5 119.58 30.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.476 ' O ' ' HB2' ' A' ' 107' ' ' ALA . 12.3 m-20 -127.61 6.14 6.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 106' ' ' ASN . . . 176.67 106.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.699 HD11 ' CE3' ' A' ' 24' ' ' TRP . 5.5 mm -37.08 -50.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.484 HD13 ' HA3' ' A' ' 72' ' ' GLY . 41.6 mt -115.87 152.46 33.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -60.2 -15.24 22.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -104.4 50.41 0.86 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.415 ' HB3' ' HB1' ' A' ' 107' ' ' ALA . 25.9 tt0 -146.49 128.51 15.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.787 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -42.51 147.82 0.58 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 105.96 2.18 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.483 1.78 . . . . 0.0 111.04 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.423 ' CG1' ' HA ' ' A' ' 106' ' ' ASN . 19.7 pt -48.74 175.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -113.88 -48.03 2.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 7.1 mm -53.4 138.14 13.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.5 t0 58.31 89.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.6 122.88 5.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.03 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -84.06 165.7 41.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 72.55 4.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 30.8 t -174.58 152.51 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.74 -58.27 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.057 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -65.35 141.38 58.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 0.779 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.98 -58.35 8.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.009 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.39 76.24 0.97 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.554 1.159 . . . . 0.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 40.54 90.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.761 . . . . 0.0 109.973 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -156.95 123.37 4.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.28 167.7 1.35 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.55 1.156 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -130.41 -58.33 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 0.801 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -170.56 -61.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 109.302 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -140.76 131.08 13.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -47.55 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.541 1.811 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.4 p30 179.19 164.94 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 48.86 86.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.954 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -134.02 -45.24 0.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -175.8 153.9 1.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.04 -108.23 2.44 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.464 1.102 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.611 ' HB2' HG22 ' A' ' 115' ' ' ILE . . . -47.64 169.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.808 ' HB ' HG22 ' A' ' 23' ' ' THR . 16.8 m 36.89 -148.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.455 ' N ' HG23 ' A' ' 18' ' ' VAL . 0.2 OUTLIER 162.94 -71.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.69 -33.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -68.09 -56.89 7.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 41.4 p90 -147.4 126.11 12.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.808 HG22 ' HB ' ' A' ' 18' ' ' VAL . 2.1 p -94.76 157.01 16.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.438 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.796 ' CE3' HD11 ' A' ' 108' ' ' ILE . 11.3 p-90 -153.13 163.1 40.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.006 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.2 m -150.16 161.08 43.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.473 ' OE1' ' CD1' ' A' ' 115' ' ' ILE . 1.2 pt20 -113.34 130.8 56.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.4 178.33 4.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -38.21 -55.0 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.26 75.83 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.43 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 164.93 149.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.478 ' CD2' ' CE3' ' A' ' 105' ' ' TRP . 2.2 mp -112.11 134.92 53.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -122.98 104.55 9.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.68 122.83 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.13 131.91 56.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.453 HG21 HG11 ' A' ' 58' ' ' VAL . 21.6 t -110.97 134.68 20.94 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.1 Cg_endo -75.07 140.92 25.84 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.559 HG11 HG23 ' A' ' 93' ' ' VAL . 30.7 m -128.12 158.17 71.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.568 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.0 177.97 7.89 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -85.55 11.15 11.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.568 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 4.2 p-80 -111.05 -4.61 15.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.584 1.178 . . . . 0.0 109.62 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.425 HG23 ' HG2' ' A' ' 38' ' ' PRO . 15.6 t -100.08 108.74 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.526 HG12 ' CB ' ' A' ' 89' ' ' PRO . 16.2 m -130.2 -40.69 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -85.84 130.58 34.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.88 -17.03 53.89 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -74.34 -6.74 49.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -92.39 -15.49 27.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -118.36 135.49 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.9 m -96.32 140.09 31.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.025 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.997 HG21 ' CD2' ' A' ' 85' ' ' TRP . 44.8 t -139.79 127.06 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -127.34 111.89 14.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -112.85 127.07 56.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.267 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.633 ' O ' HG21 ' A' ' 80' ' ' THR . 70.1 m -128.92 -63.01 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 52' ' ' SER . 68.9 p 175.27 -52.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 100.0 p -121.04 33.45 5.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.38 152.67 27.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.969 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.998 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -149.34 150.27 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.998 ' N ' HD13 ' A' ' 56' ' ' ILE . 15.4 ttt180 -138.99 130.68 27.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.6 HG23 ' CD1' ' A' ' 56' ' ' ILE . 6.8 t -139.93 97.27 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 67' ' ' ARG . . . -127.84 142.93 51.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.553 ' HG2' HD21 ' A' ' 69' ' ' LEU . 1.9 ptm -114.36 137.55 51.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 mt -67.31 140.1 57.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -104.81 -174.63 2.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -72.48 -21.71 61.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -147.6 51.19 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 142.37 -134.97 6.35 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.13 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -157.15 -179.21 7.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -155.52 147.67 23.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.7 t -92.75 113.19 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.553 HD21 ' HG2' ' A' ' 60' ' ' MET . 77.3 mt -73.37 -51.39 17.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.592 ' SD ' ' CD1' ' A' ' 22' ' ' TYR . 12.7 ttt -125.1 -93.24 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.468 ' N ' ' HG2' ' A' ' 70' ' ' MET . 3.6 tt0 59.58 146.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.859 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 150.11 149.08 4.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.577 1.173 . . . . 0.0 111.019 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -68.55 124.35 23.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 108' ' ' ILE . 16.7 mt -66.13 157.1 32.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.0 p -73.64 -38.66 64.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -126.51 -176.85 3.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.58 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -90.17 168.96 11.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.4 pp -147.96 164.13 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 80' ' ' THR . 5.1 t-20 -95.11 79.68 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.633 HG21 ' O ' ' A' ' 52' ' ' SER . 69.5 p -37.87 -49.9 1.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 110.384 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -47.28 -53.82 12.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -31.64 67.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 14.5 m -76.46 157.56 32.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 1.4 pp -155.04 179.23 9.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.997 ' CD2' HG21 ' A' ' 49' ' ' VAL . 5.3 p-90 -151.02 121.87 7.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.01 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.9 m -117.89 126.53 52.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.949 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.83 HD22 ' H ' ' A' ' 88' ' ' GLU . 1.2 tm? -91.63 143.57 26.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.83 ' H ' HD22 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -124.67 135.37 26.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.526 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.94 123.06 7.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.551 1.816 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.58 59.78 9.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -161.01 -97.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -164.03 177.67 8.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 108.281 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.629 HG22 HD23 ' A' ' 87' ' ' LEU . 17.1 t -105.12 132.29 52.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.5 HD13 ' N ' ' A' ' 95' ' ' VAL . 2.6 tm? -101.35 134.74 43.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.532 HG22 ' HB2' ' A' ' 85' ' ' TRP . 63.4 t -139.95 108.18 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.485 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 15.1 m120 -95.3 107.53 19.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.9 mt -96.58 131.87 42.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.15 157.26 18.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.023 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -90.64 137.68 32.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 24.3 t -125.6 90.95 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.54 152.48 23.34 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 94.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 0.797 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -128.94 155.93 44.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -98.38 103.8 15.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 107.959 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.478 ' CE3' ' CD2' ' A' ' 31' ' ' LEU . 20.3 m95 -80.28 94.14 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -83.26 -7.6 59.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.818 ' HB1' ' HB3' ' A' ' 112' ' ' GLU . . . -174.35 174.85 2.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.796 HD11 ' CE3' ' A' ' 24' ' ' TRP . 22.3 mm -87.25 -58.21 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.859 HD13 ' HA3' ' A' ' 72' ' ' GLY . 24.8 mt -100.09 164.16 12.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -72.92 -18.73 61.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -98.56 26.0 25.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.818 ' HB3' ' HB1' ' A' ' 107' ' ' ALA . 0.9 OUTLIER -113.21 140.12 48.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.77 . . . . 0.0 110.286 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.56 145.2 83.27 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 117.71 5.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.535 1.808 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.611 HG22 ' HB2' ' A' ' 17' ' ' ALA . 43.0 pt -48.73 158.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 117' ' ' ILE . 2.1 m-20 -91.61 76.05 5.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.744 HG22 ' H ' ' A' ' 118' ' ' ASP . 1.9 mm 45.33 -169.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.744 ' H ' HG22 ' A' ' 117' ' ' ILE . 0.1 OUTLIER 172.25 137.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -175.42 78.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.966 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 111.6 178.21 20.19 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.142 . . . . 0.0 110.965 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 168.93 23.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.6 t -47.06 -58.36 4.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.034 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.08 136.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.043 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 111.039 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.45 144.87 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 m -149.32 138.89 21.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.42 100.32 2.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.41 -58.68 2.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 0.796 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.8 158.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.81 -98.94 0.3 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.68 -60.29 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -63.91 116.66 6.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -46.48 145.95 2.63 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -43.4 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -47.83 162.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.9 t 60.99 112.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.18 -56.6 2.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -162.4 -55.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.368 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.518 ' O ' HG13 ' A' ' 18' ' ' VAL . . . -43.16 166.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.65 122.16 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 16' ' ' GLY . 22.2 m -111.58 168.85 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.2 tpt85 -155.4 149.17 25.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -62.08 -48.08 81.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.256 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -53.24 -58.82 5.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 43.7 p90 -152.05 129.11 11.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 p -86.57 150.57 24.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.535 ' CE3' HD11 ' A' ' 108' ' ' ILE . 7.9 p-90 -155.45 160.7 40.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.6 m -147.6 161.6 40.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -108.36 136.29 48.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -126.84 170.15 12.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -37.47 -56.55 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.636 ' O ' HG23 ' A' ' 29' ' ' THR . 10.0 t -150.63 74.4 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.413 ' CB ' ' O ' ' A' ' 29' ' ' THR . 0.3 OUTLIER 162.36 159.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.63 HD21 ' HB3' ' A' ' 105' ' ' TRP . 3.4 mp -125.45 141.4 52.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.03 105.93 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.251 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -116.23 127.26 73.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 16.4 mtp180 -117.24 131.13 56.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.425 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 17.8 t -111.35 130.39 23.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.02 140.88 25.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.8 m -126.7 158.26 68.54 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.535 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.1 Cg_endo -74.97 176.65 9.62 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.444 1.76 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -85.72 11.75 10.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.535 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 3.5 p-80 -110.58 -5.55 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.644 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.49 HG23 ' HG2' ' A' ' 38' ' ' PRO . 42.1 t -102.59 115.16 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.582 HG12 ' CB ' ' A' ' 89' ' ' PRO . 17.9 m -135.71 -41.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -77.22 138.38 39.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.88 -14.05 57.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -83.11 -12.89 56.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 0.729 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -79.52 -6.43 56.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -135.43 151.17 29.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -114.44 147.79 38.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.981 HG21 ' CD2' ' A' ' 85' ' ' TRP . 44.1 t -140.13 109.35 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.667 ' HB3' ' HB3' ' A' ' 57' ' ' ARG . . . -106.93 108.3 19.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.9 mt -110.79 134.77 52.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.541 ' O ' HG21 ' A' ' 80' ' ' THR . 63.6 m -132.23 -66.3 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.99 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.46 ' HA ' HG13 ' A' ' 78' ' ' ILE . 78.5 p 177.04 -39.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.472 ' CB ' ' HD2' ' A' ' 77' ' ' LYS . 5.6 t -137.81 41.17 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.02 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.73 135.32 2.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.5 tt -124.78 152.97 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.667 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 10.2 ttt180 -143.99 110.32 5.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.8 t -120.83 105.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' A' ' 47' ' ' VAL . . . -126.52 144.81 50.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.589 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -121.37 137.02 54.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.47 ' O ' ' CE ' ' A' ' 60' ' ' MET . 9.2 mt -68.26 134.95 51.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -100.39 -173.67 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -69.65 -31.28 69.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -140.93 53.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 142.44 -138.28 8.35 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.03 169.79 22.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.787 . . . . 0.0 110.301 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.26 145.55 32.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.5 t -93.4 96.28 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.589 HD21 ' HG2' ' A' ' 60' ' ' MET . 45.3 mt -57.54 -58.54 7.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.476 ' SD ' ' CG ' ' A' ' 22' ' ' TYR . 25.6 ttt -135.06 136.41 42.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.456 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 11.8 tm-20 -169.61 141.62 2.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.336 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.574 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 157.2 154.48 7.08 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 123.56 18.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 54' ' ' SER . 18.8 mt -60.52 -171.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 108' ' ' ILE . 52.6 p -81.86 -35.57 29.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.484 ' CG ' ' O ' ' A' ' 75' ' ' THR . 34.1 m80 -163.36 -173.08 3.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.597 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.503 ' N ' ' HD3' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -69.44 165.28 21.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.555 ' HA ' HG13 ' A' ' 100' ' ' VAL . 2.1 pp -152.94 -172.75 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -107.11 84.93 2.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.541 HG21 ' O ' ' A' ' 52' ' ' SER . 2.6 p -49.92 -47.06 52.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.418 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -50.21 -55.19 16.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.268 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.47 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 12.9 t -66.32 -33.94 76.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.949 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 70.6 m -68.57 124.57 23.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.991 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.458 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -110.15 178.2 4.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.981 ' CD2' HG21 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -165.07 120.5 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 107.997 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.8 m -127.04 133.08 50.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.908 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -92.11 144.49 25.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.908 ' H ' HD22 ' A' ' 87' ' ' LEU . 1.8 mt-10 -122.82 134.87 25.25 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.582 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.5 Cg_endo -74.96 124.3 8.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.2 46.52 62.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.525 1.141 . . . . 0.0 111.049 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -145.61 -103.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -163.95 175.99 9.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 108.291 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.425 HG22 HD23 ' A' ' 87' ' ' LEU . 91.9 t -101.63 138.21 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.833 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.1 tm? -112.78 132.22 55.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.833 ' N ' HD13 ' A' ' 94' ' ' LEU . 54.4 t -138.88 143.35 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.441 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 2.9 m120 -125.93 126.08 43.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.435 HD23 ' C ' ' A' ' 96' ' ' ASN . 7.8 mt -107.5 117.14 33.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 82' ' ' SER . 15.9 t -90.41 123.37 34.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.566 ' HD3' ' CD1' ' A' ' 105' ' ' TRP . 0.9 OUTLIER -72.42 129.93 39.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.555 HG13 ' HA ' ' A' ' 78' ' ' ILE . 16.8 m -87.57 47.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 144.79 -138.13 7.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.46 94.14 3.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.293 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -128.72 156.02 44.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 28.6 p90 -94.62 111.37 23.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 107.988 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.63 ' HB3' HD21 ' A' ' 31' ' ' LEU . 21.8 m95 -96.38 81.05 3.23 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -78.37 0.02 27.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.685 ' O ' HG21 ' A' ' 75' ' ' THR . . . -166.38 170.94 12.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.746 ' O ' HG23 ' A' ' 75' ' ' THR . 5.3 mm -98.08 -53.93 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.574 HD13 ' HA3' ' A' ' 72' ' ' GLY . 50.1 mt -103.77 156.29 17.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -68.21 -16.53 64.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -77.4 -33.33 44.14 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.11 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.31 111.11 12.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.756 . . . . 0.0 110.331 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -46.48 161.65 0.27 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.252 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 127.18 10.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.042 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.971 HD12 HD11 ' A' ' 117' ' ' ILE . 24.0 pt -66.53 160.54 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -151.29 54.66 0.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.971 HD11 HD12 ' A' ' 115' ' ' ILE . 0.6 OUTLIER -73.34 178.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.67 ' H ' HG22 ' A' ' 117' ' ' ILE . 1.0 OUTLIER -74.44 108.33 7.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 28.8 t -70.49 102.33 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.973 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -73.27 -161.86 6.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 75.81 3.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.788 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.44 164.94 30.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.54 136.51 53.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.964 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 53.55 101.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.747 . . . . 0.0 110.007 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -124.35 85.39 2.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.42 -102.22 2.89 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 t -78.36 110.95 13.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 p -101.32 160.8 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.73 111.27 0.2 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.47 156.38 30.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.5 mttp 61.89 150.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.489 ' C ' ' H ' ' A' ' 12' ' ' ASP . 33.9 m120 64.1 151.2 0.11 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 34.95 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 0.0 111.061 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.489 ' H ' ' C ' ' A' ' 10' ' ' ASN . 1.5 m-20 73.13 -60.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.456 ' HB2' HG21 ' A' ' 18' ' ' VAL . 71.1 p -64.1 87.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -68.07 152.0 46.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -69.06 121.45 16.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.528 ' O ' HG21 ' A' ' 115' ' ' ILE . . . 141.45 46.76 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.84 116.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.829 HG23 ' HD3' ' A' ' 19' ' ' ARG . 2.8 m -126.44 -172.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.829 ' HD3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER 37.78 -137.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER 77.01 52.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.586 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 29.8 t30 87.05 -4.26 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.586 ' CD2' ' HB3' ' A' ' 21' ' ' ASN . 18.3 p90 173.66 131.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.527 HG23 ' H ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -86.09 142.28 28.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.48 ' CE3' HD11 ' A' ' 108' ' ' ILE . 14.4 p-90 -145.27 160.19 41.87 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 92.3 p -153.91 177.79 10.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.993 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.7 116.95 6.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -132.82 132.39 42.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.441 ' O ' ' HB ' ' A' ' 29' ' ' THR . 0.2 OUTLIER 67.75 -66.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER 175.45 62.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 110.392 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -157.98 -179.24 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.56 HD22 ' CE3' ' A' ' 105' ' ' TRP . 1.1 mp -136.73 101.15 4.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.76 104.79 16.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -117.48 123.07 71.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 3.3 mtm180 -114.93 128.76 56.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.586 HG21 HG11 ' A' ' 58' ' ' VAL . 57.3 t -102.85 130.87 22.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 136.67 20.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.4 m -120.87 159.07 50.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.0 177.3 8.78 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.798 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.41 11.59 10.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.464 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 3.2 p-80 -112.42 -3.59 14.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.55 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.438 HG23 ' HG2' ' A' ' 38' ' ' PRO . 15.6 t -101.93 108.96 24.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.595 HG12 ' CB ' ' A' ' 89' ' ' PRO . 15.4 m -132.45 -41.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -76.39 143.11 40.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.34 2.56 61.63 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -94.31 -12.53 27.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -94.2 24.74 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.562 HG21 ' HG ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -151.07 138.96 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.64 131.15 56.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.758 HG21 ' CE3' ' A' ' 85' ' ' TRP . 45.8 t -126.3 138.02 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.403 ' HB3' ' CB ' ' A' ' 57' ' ' ARG . . . -128.14 114.89 17.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.3 mt -116.96 122.31 43.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.688 ' O ' HG21 ' A' ' 80' ' ' THR . 13.8 m -125.95 -63.0 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.971 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 52' ' ' SER . 19.4 t 172.69 -51.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 74' ' ' LEU . 0.1 OUTLIER -119.85 27.66 8.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 110.027 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.14 153.24 32.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.99 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 1.012 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -148.14 151.8 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 1.012 ' N ' HD13 ' A' ' 56' ' ' ILE . 9.1 ttt180 -139.08 134.59 33.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.677 HG23 ' CD1' ' A' ' 56' ' ' ILE . 20.0 t -139.33 103.32 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -127.24 163.54 23.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.578 ' HG2' HD21 ' A' ' 69' ' ' LEU . 1.4 ptm -142.32 136.5 29.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.411 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 15.2 mt -72.61 130.28 40.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -95.33 -69.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -165.9 -66.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -89.11 -11.95 42.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.11 -133.96 1.59 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.411 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -157.77 178.51 10.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 110.31 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -142.62 141.11 31.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 91.0 t -91.43 99.39 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.578 HD21 ' HG2' ' A' ' 60' ' ' MET . 31.0 mt -61.88 -53.02 61.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 58' ' ' VAL . 19.2 ttt -141.8 140.96 33.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.451 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 14.5 tm-20 -170.68 150.16 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.518 ' C ' HD22 ' A' ' 109' ' ' LEU . . . 151.36 155.67 7.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -69.57 123.05 20.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 54' ' ' SER . 15.7 mt -61.35 166.94 3.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 108' ' ' ILE . 62.6 p -78.06 -42.37 32.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 38.4 m80 -130.15 169.56 15.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.567 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -77.72 166.65 22.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.471 ' C ' HG13 ' A' ' 100' ' ' VAL . 1.9 pp -142.41 -175.69 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.62 ' CG ' HG12 ' A' ' 100' ' ' VAL . 22.1 m-20 -109.98 77.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.688 HG21 ' O ' ' A' ' 52' ' ' SER . 73.6 p -38.59 -39.09 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.354 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -57.72 -53.92 52.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 61.0 m -72.86 -19.48 61.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 110.038 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.6 m -83.81 139.74 32.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 1.0 OUTLIER -127.38 179.33 5.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.329 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.758 ' CE3' HG21 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -160.75 126.09 3.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 108.033 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.93 158.87 40.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.859 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -115.81 141.96 47.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.859 ' H ' HD22 ' A' ' 87' ' ' LEU . 1.8 mt-10 -123.18 134.78 25.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.595 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.96 122.12 7.02 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.32 46.34 72.23 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.475 1.11 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.21 -103.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -163.61 174.75 11.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 108.276 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' VAL . 91.1 t -99.74 128.9 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.623 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.9 tm? -97.62 138.43 35.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.623 ' N ' HD13 ' A' ' 94' ' ' LEU . 92.3 t -146.6 127.28 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.478 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 4.2 m120 -111.04 125.05 53.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.417 HD22 HD13 ' A' ' 78' ' ' ILE . 25.3 mt -112.87 111.8 22.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.61 102.48 14.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -49.95 146.6 4.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.62 HG12 ' CG ' ' A' ' 79' ' ' ASN . 16.0 m -90.06 44.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.53 -137.83 7.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.22 94.49 4.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 0.737 . . . . 0.0 110.26 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -128.36 155.71 44.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 19.4 t-105 -98.42 104.06 16.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 108.021 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.56 ' CE3' HD22 ' A' ' 31' ' ' LEU . 8.8 m95 -82.28 98.4 8.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 108.017 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -69.9 -16.11 63.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -168.31 171.85 8.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.586 ' O ' HG23 ' A' ' 75' ' ' THR . 20.0 mm -85.33 -60.26 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.518 HD22 ' C ' ' A' ' 72' ' ' GLY . 49.3 mt -100.73 175.16 5.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.57 -12.15 40.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -74.88 -29.42 61.02 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -163.39 0.12 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 0.759 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -122.08 154.33 61.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 112.42 3.56 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.528 HG21 ' O ' ' A' ' 16' ' ' GLY . 20.4 pt -52.69 177.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 117' ' ' ILE . 10.4 m-20 -68.15 70.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 115' ' ' ILE . 7.8 mt -39.99 148.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -45.06 -57.46 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.02 85.59 2.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -174.89 -158.45 18.94 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.498 1.123 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.07 17.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 57.6 m -134.16 169.8 16.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.982 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.18 124.16 19.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.996 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.1 t30 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 37.9 p90 -165.3 126.15 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.8 m -86.45 157.12 19.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.434 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.592 ' CE3' HD11 ' A' ' 108' ' ' ILE . 7.0 p-90 -162.75 163.99 26.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.167 . . . . 0.0 107.967 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.2 p -151.14 156.93 42.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.043 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -110.4 133.09 53.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -126.05 -178.99 4.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -38.47 -75.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.5 p -135.39 68.62 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.41 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 2.8 p-10 166.37 147.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.528 HD23 ' HZ3' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -120.32 155.95 32.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -137.57 116.23 12.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -119.13 127.99 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.447 ' HG3' HD22 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -115.97 126.21 53.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.571 HG21 HG11 ' A' ' 58' ' ' VAL . 39.7 t -111.59 129.97 23.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.5 Cg_endo -74.97 140.65 25.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.527 1.804 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.408 HG11 HG23 ' A' ' 93' ' ' VAL . 30.1 m -125.68 158.75 63.94 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.479 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.99 177.22 8.88 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.498 1.789 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.77 12.08 9.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.479 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 5.1 p-80 -114.29 -2.39 13.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.621 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.477 HG23 ' HG2' ' A' ' 38' ' ' PRO . 16.6 t -104.08 110.9 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.475 HG12 ' CB ' ' A' ' 89' ' ' PRO . 16.9 m -129.67 -41.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.53 148.51 29.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.14 -14.53 82.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -77.1 -13.58 59.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -82.65 -14.08 55.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -123.75 150.93 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.38 130.84 56.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.671 HG21 ' CE3' ' A' ' 85' ' ' TRP . 55.3 t -131.58 107.44 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.551 ' HB3' ' HB2' ' A' ' 57' ' ' ARG . . . -104.81 124.19 49.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.2 mt -123.81 125.68 45.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.611 ' O ' HG21 ' A' ' 80' ' ' THR . 41.1 m -127.34 -64.82 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.953 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 52' ' ' SER . 98.0 p 178.31 -54.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.9 33.01 5.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.86 147.04 23.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 1.015 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -140.71 151.24 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.137 . . . . 0.0 109.336 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 1.015 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -139.9 131.14 26.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.649 HG23 ' CD1' ' A' ' 56' ' ' ILE . 14.3 t -139.46 105.99 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.55 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -131.88 159.85 37.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.5 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -140.73 143.16 34.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.984 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.5 ' O ' ' CE ' ' A' ' 60' ' ' MET . 12.5 mt -77.82 130.8 37.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -93.54 -67.46 0.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -166.42 -65.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -94.88 -6.74 42.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.27 -134.62 1.68 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.477 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 2.0 pm0 -159.74 178.63 9.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 110.272 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.92 142.95 30.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.7 t -90.93 97.14 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.486 HD21 ' HG2' ' A' ' 60' ' ' MET . 42.1 mt -61.34 -56.07 24.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.495 ' HE3' HG21 ' A' ' 108' ' ' ILE . 18.1 ttt -139.81 131.2 26.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.449 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 10.2 tm-20 -163.05 153.99 16.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.741 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 147.38 158.02 7.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -68.03 130.14 42.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.7 mt -66.7 164.78 16.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 108' ' ' ILE . 23.3 p -67.54 -46.26 73.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 110.368 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -134.94 -168.84 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.602 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -90.89 164.99 13.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.493 ' HA ' HG13 ' A' ' 100' ' ' VAL . 2.0 pp -142.05 -172.83 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -113.64 75.87 0.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.611 HG21 ' O ' ' A' ' 52' ' ' SER . 70.9 p -38.88 -40.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.44 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -55.72 -54.13 48.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.29 -27.92 62.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.04 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.0 m -71.02 156.31 39.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -147.94 179.56 7.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.695 ' HB2' HG22 ' A' ' 95' ' ' VAL . 1.6 p-90 -164.55 132.36 3.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 107.985 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.4 m -127.72 134.37 49.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.817 HD22 ' N ' ' A' ' 88' ' ' GLU . 1.1 tm? -98.33 138.74 35.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.817 ' N ' HD22 ' A' ' 87' ' ' LEU . 2.3 mt-10 -118.5 132.51 23.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.475 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.95 124.7 8.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.442 1.759 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.6 46.55 88.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -148.85 -100.27 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -163.76 173.36 12.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.289 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.803 HG22 HD23 ' A' ' 87' ' ' LEU . 46.5 t -100.43 140.62 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.717 HD13 ' N ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -114.53 130.15 56.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.717 ' N ' HD13 ' A' ' 94' ' ' LEU . 74.1 t -134.6 120.78 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -104.06 125.0 50.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.2 mt -108.12 127.41 53.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.94 114.06 27.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.572 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 27.5 mttt -62.91 146.28 53.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.493 HG13 ' HA ' ' A' ' 78' ' ' ILE . 28.3 m -97.68 41.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 139.02 -159.91 25.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -96.31 94.77 7.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -128.42 155.75 44.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 29.7 t-105 -103.28 103.1 13.09 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.129 . . . . 0.0 108.0 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.572 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 11.8 m95 -83.59 92.93 7.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 107.976 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -72.69 -12.83 61.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.631 ' O ' HG21 ' A' ' 75' ' ' THR . . . -164.27 175.65 9.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.66 ' O ' HG23 ' A' ' 75' ' ' THR . 8.2 mm -92.24 -55.59 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.741 HD13 ' HA3' ' A' ' 72' ' ' GLY . 48.2 mt -99.2 160.53 14.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 27.0 p90 -163.5 131.06 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.9 m -88.07 151.95 22.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.383 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.528 ' CE3' HD11 ' A' ' 108' ' ' ILE . 8.6 p-90 -159.4 162.59 35.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 107.982 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 p -147.45 158.61 44.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -108.88 119.93 41.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 28' ' ' TYR . 1.4 m-20 -110.53 -179.04 3.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -37.42 -65.23 0.32 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -147.25 74.86 1.35 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 110.415 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 166.47 144.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.489 HD23 ' CZ3' ' A' ' 24' ' ' TRP . 2.7 mp -113.52 123.61 50.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.91 112.45 24.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -116.52 134.18 60.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.5 mtt85 -119.22 132.75 55.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.52 HG21 HG11 ' A' ' 58' ' ' VAL . 5.2 t -115.8 127.53 26.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.181 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 141.34 26.52 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.455 1.766 . . . . 0.0 110.96 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.4 m -125.16 158.84 62.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.06 177.45 8.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.95 14.59 7.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.567 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 7.0 p-80 -115.77 -3.85 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.601 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.496 HG23 ' HG2' ' A' ' 38' ' ' PRO . 33.6 t -103.91 111.35 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.487 HG12 ' CB ' ' A' ' 89' ' ' PRO . 13.9 m -128.69 -41.22 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -77.68 162.1 27.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.354 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.67 -15.81 62.91 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -79.11 -14.73 58.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -84.64 2.08 43.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -141.99 127.65 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.51 128.39 46.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.504 HG21 ' CE3' ' A' ' 85' ' ' TRP . 37.9 t -130.78 122.83 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.545 ' HB3' ' HB3' ' A' ' 57' ' ' ARG . . . -112.19 106.62 15.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 51' ' ' LEU . 15.9 mt -88.13 116.92 26.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 55' ' ' SER . 0.8 OUTLIER -127.11 143.19 51.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.546 ' HA ' HG23 ' A' ' 80' ' ' THR . 1.8 m -51.63 -26.05 8.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.9 p -148.86 53.62 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.427 ' O ' ' CB ' ' A' ' 52' ' ' SER . 0.0 OUTLIER 173.49 134.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.025 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.978 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -128.94 154.64 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.978 ' N ' HD13 ' A' ' 56' ' ' ILE . 34.7 ttt180 -143.47 139.62 29.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.62 HG23 ' CD1' ' A' ' 56' ' ' ILE . 18.4 t -142.02 119.94 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.447 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -141.13 159.73 41.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.5 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -142.19 142.24 32.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.5 ' O ' ' CE ' ' A' ' 60' ' ' MET . 15.1 mt -75.84 133.45 40.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -102.87 -84.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -165.13 -45.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -116.9 20.34 13.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 146.18 127.54 1.87 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.477 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 1.4 pm0 -64.95 175.43 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 0.807 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 1.3 ttt85 -141.51 141.42 33.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.4 t -89.57 99.33 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.446 HD13 HG12 ' A' ' 35' ' ' VAL . 46.4 mt -61.83 -50.33 72.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.471 ' HE1' HG21 ' A' ' 108' ' ' ILE . 18.3 ttt -141.8 148.63 39.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.516 ' O ' HD13 ' A' ' 109' ' ' LEU . 8.6 tm-20 -177.59 160.85 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.5 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 141.05 161.82 8.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.81 129.62 34.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.536 HD23 HD23 ' A' ' 109' ' ' LEU . 29.7 mt -65.07 152.36 43.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.474 HG22 ' HA ' ' A' ' 110' ' ' GLU . 7.6 p -77.1 -5.7 49.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.525 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 14.0 m-70 -152.85 176.73 11.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.608 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.476 ' C ' HG23 ' A' ' 78' ' ' ILE . 11.0 mttt -85.51 170.68 12.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.506 HD11 HG22 ' A' ' 80' ' ' THR . 1.8 pp -155.32 162.0 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' THR . 4.8 t-20 -95.17 74.39 3.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.546 HG23 ' HA ' ' A' ' 53' ' ' SER . 74.6 p -37.6 -48.44 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -43.35 -54.74 4.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.254 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.8 m -71.04 -32.59 69.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 10.0 m -64.68 129.49 40.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.453 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.5 OUTLIER -116.21 178.83 4.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.752 ' HB2' HG22 ' A' ' 95' ' ' VAL . 0.7 OUTLIER -165.13 120.23 1.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 108.033 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.5 m -123.01 141.55 51.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.846 HD22 ' H ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -103.11 140.4 37.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.846 ' H ' HD22 ' A' ' 87' ' ' LEU . 8.5 mt-10 -120.41 133.81 24.06 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.487 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.1 Cg_endo -75.05 123.97 8.25 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.39 45.62 82.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.22 -102.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.4 p -163.65 177.33 8.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 108.318 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.526 HG22 HD23 ' A' ' 87' ' ' LEU . 74.7 t -105.24 137.37 35.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.662 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.6 tm? -113.64 129.14 56.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.752 HG22 ' HB2' ' A' ' 85' ' ' TRP . 81.7 t -136.6 139.8 44.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.491 HD21 HD11 ' A' ' 94' ' ' LEU . 1.7 m-80 -119.62 116.52 26.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.1 mt -97.03 112.35 24.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.0 t -70.48 139.82 51.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -82.81 131.58 35.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 100' ' ' VAL . 16.7 t -112.61 93.73 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 77.43 148.72 3.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.13 93.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 0.0 110.321 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -129.33 153.05 48.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.514 ' O ' ' CD2' ' A' ' 76' ' ' HIS . 0.9 OUTLIER -81.14 124.16 29.02 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.525 ' CE2' ' HB2' ' A' ' 76' ' ' HIS . 7.2 m95 -102.01 -71.24 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 108.016 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 105' ' ' TRP . 2.2 t-20 80.2 -52.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -127.23 161.63 28.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.528 HD11 ' CE3' ' A' ' 24' ' ' TRP . 3.6 mm -76.72 -63.18 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.536 HD23 HD23 ' A' ' 74' ' ' LEU . 28.3 mt -97.64 163.73 12.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.474 ' HA ' HG22 ' A' ' 75' ' ' THR . 11.1 mt-10 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.516 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 2.3 t30 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.516 ' CD2' ' HB3' ' A' ' 21' ' ' ASN . 36.8 p90 -159.47 133.74 7.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -86.5 146.61 26.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.577 ' HZ3' HD23 ' A' ' 31' ' ' LEU . 12.7 p-90 -157.84 165.36 35.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.035 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.2 p -151.62 155.63 38.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.96 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -108.8 131.81 54.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -118.49 178.61 4.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -39.24 -59.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 t -149.63 67.11 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.414 ' N ' ' HE3' ' A' ' 99' ' ' LYS . 1.3 p-10 172.41 153.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.777 HD21 ' CB ' ' A' ' 105' ' ' TRP . 1.7 mp -124.23 156.79 36.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -146.69 107.95 4.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.96 123.22 68.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -113.1 124.3 52.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.475 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 47.3 t -105.62 133.15 20.32 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.02 137.54 21.8 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.516 1.798 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.545 ' CG1' HG23 ' A' ' 93' ' ' VAL . 32.4 m -123.93 158.52 59.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.571 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.07 178.0 7.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.439 1.757 . . . . 0.0 110.968 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -85.71 12.2 9.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.571 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 6.3 p-80 -113.82 -3.6 13.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.61 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.459 HG23 ' HG2' ' A' ' 38' ' ' PRO . 16.0 t -102.51 109.34 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.477 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 15.2 m -127.8 -41.3 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -81.07 153.41 27.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.47 -12.15 80.83 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -79.98 -13.44 59.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -84.37 -13.08 53.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -121.47 141.32 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -103.18 136.08 43.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.551 HG21 ' CD2' ' A' ' 85' ' ' TRP . 55.5 t -139.65 113.68 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.47 114.4 27.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.0 mt -113.99 123.49 49.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.578 ' O ' HG21 ' A' ' 80' ' ' THR . 2.6 m -123.36 -65.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 52' ' ' SER . 99.6 p 178.39 -55.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.161 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.1 30.63 6.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.503 ' N ' HD12 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -151.72 147.98 27.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.965 HD11 HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -140.9 150.55 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.528 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -143.78 125.57 15.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.965 HG23 HD11 ' A' ' 56' ' ' ILE . 99.3 t -133.76 121.96 41.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 47' ' ' VAL . . . -150.1 140.26 22.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.481 ' HG2' HD21 ' A' ' 69' ' ' LEU . 2.0 ptm -116.91 138.32 51.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.7 mt -66.3 139.19 58.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -103.57 -174.25 2.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.06 -19.59 61.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -150.86 49.88 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 144.11 -135.15 6.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -160.9 170.49 20.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.272 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 1.1 ttt180 -144.45 141.54 29.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.8 t -91.55 99.11 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.481 HD21 ' HG2' ' A' ' 60' ' ' MET . 25.2 mt -63.86 -51.67 63.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.486 ' SD ' ' CG ' ' A' ' 22' ' ' TYR . 19.8 ttt -138.38 142.21 39.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.455 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 10.9 tm-20 -171.97 154.71 3.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.466 ' O ' HD22 ' A' ' 109' ' ' LEU . . . 142.65 155.41 6.43 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -71.14 133.52 46.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.503 HD12 ' N ' ' A' ' 55' ' ' SER . 8.7 mt -70.2 164.35 24.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 108' ' ' ILE . 8.3 p -83.76 -19.9 34.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.428 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -143.66 179.45 7.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.596 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -95.86 172.48 7.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.556 ' HA ' HG13 ' A' ' 100' ' ' VAL . 1.9 pp -149.06 -171.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 82' ' ' SER . 11.8 t-20 -117.32 76.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.578 HG21 ' O ' ' A' ' 52' ' ' SER . 57.3 p -37.96 -46.35 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.388 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -53.67 -51.55 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 79' ' ' ASN . 0.7 OUTLIER -74.09 -27.33 60.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.9 m -75.36 163.77 27.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -155.09 179.25 9.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.779 ' HB2' HG22 ' A' ' 95' ' ' VAL . 5.8 p-90 -163.81 124.37 2.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 107.993 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.0 p -115.76 136.78 52.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.911 HD23 HG22 ' A' ' 93' ' ' VAL . 1.2 tm? -99.52 139.69 34.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.823 ' H ' HD22 ' A' ' 87' ' ' LEU . 1.8 mm-40 -119.47 133.28 23.8 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.477 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.2 Cg_endo -74.99 125.92 9.64 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.49 54.14 36.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.46 -97.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -162.14 177.49 9.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.316 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.911 HG22 HD23 ' A' ' 87' ' ' LEU . 55.5 t -104.23 133.66 47.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.69 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.4 tm? -103.09 129.96 50.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.779 HG22 ' HB2' ' A' ' 85' ' ' TRP . 74.7 t -135.92 107.77 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -93.21 130.2 38.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.0 mt -113.94 129.86 56.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.23 109.17 20.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.006 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.536 ' HE2' HD11 ' A' ' 31' ' ' LEU . 78.4 mttt -57.49 152.61 14.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.556 HG13 ' HA ' ' A' ' 78' ' ' ILE . 33.5 m -102.68 44.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.02 -175.72 19.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -75.58 93.96 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -129.07 156.1 44.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.068 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 16.9 p90 -103.36 120.1 40.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 107.99 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.777 ' CB ' HD21 ' A' ' 31' ' ' LEU . 22.0 m95 -105.09 95.08 5.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 108.017 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -100.65 10.59 40.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -178.28 133.02 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.568 ' O ' HG23 ' A' ' 75' ' ' THR . 3.4 mm -70.61 -60.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.466 HD22 ' O ' ' A' ' 72' ' ' GLY . 63.8 mt -97.73 166.3 11.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 39.2 p90 -158.35 127.95 5.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 p -86.7 155.02 20.54 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.523 ' CG ' HG13 ' A' ' 108' ' ' ILE . 16.6 p-90 -163.92 165.03 23.1 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.5 p -153.8 174.14 14.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -113.66 130.63 56.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.92 179.82 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -37.91 -52.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 29' ' ' THR . 3.4 t -158.51 68.69 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.386 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 172.82 158.61 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.475 HD22 ' CE3' ' A' ' 105' ' ' TRP . 2.7 mp -117.81 125.94 51.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.32 112.1 22.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -116.85 122.66 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.408 ' CG ' HD23 ' A' ' 94' ' ' LEU . 26.0 mtt180 -108.36 131.92 54.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.518 HG21 HG11 ' A' ' 58' ' ' VAL . 32.2 t -112.25 131.97 22.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.01 141.73 26.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.562 1.822 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.8 m -128.34 158.41 71.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -74.99 179.53 6.0 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.496 1.788 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.99 12.99 9.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.444 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 3.9 p-80 -115.66 -3.41 12.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.593 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.415 HG23 ' HG2' ' A' ' 38' ' ' PRO . 3.6 t -98.97 108.87 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.634 HG12 ' CB ' ' A' ' 89' ' ' PRO . 16.4 m -131.15 -41.26 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -82.31 133.74 35.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.63 -34.88 44.35 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -60.23 -15.42 24.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 0.745 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 40' ' ' HIS . 17.4 mt-30 -78.32 -7.31 57.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.466 ' CG2' ' HG ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -140.19 131.28 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m -97.25 144.66 26.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.029 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.961 HG21 ' CE3' ' A' ' 85' ' ' TRP . 3.2 t -138.59 115.21 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HB3' ' HB3' ' A' ' 57' ' ' ARG . . . -112.84 109.08 18.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.1 mt -109.01 128.45 54.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.676 ' O ' HG21 ' A' ' 80' ' ' THR . 4.1 m -124.8 -66.36 0.97 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 77' ' ' LYS . 26.6 t 173.91 -47.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 74' ' ' LEU . 83.3 p -122.77 31.91 5.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.2 t -158.89 172.65 17.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.99 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.845 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -165.75 155.18 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.845 ' N ' HD13 ' A' ' 56' ' ' ILE . 11.0 ttt180 -143.96 134.38 24.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.793 HG23 HD11 ' A' ' 56' ' ' ILE . 88.2 t -138.23 97.51 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 67' ' ' ARG . . . -122.68 130.94 53.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.64 ' HG2' HD21 ' A' ' 69' ' ' LEU . 1.6 ptm -108.08 135.97 48.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.453 ' O ' ' CE ' ' A' ' 60' ' ' MET . 7.6 mt -65.77 138.29 57.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -101.86 -174.2 2.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.19 -18.76 60.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -151.35 48.88 0.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 145.38 -137.24 6.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.22 166.33 27.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.783 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -141.06 140.14 34.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.3 t -88.18 99.63 9.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.64 HD21 ' HG2' ' A' ' 60' ' ' MET . 34.6 mt -62.59 -60.15 3.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.534 ' HE1' HG21 ' A' ' 108' ' ' ILE . 27.5 ttt -131.94 147.81 52.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -177.83 156.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 140.36 157.79 7.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -74.96 127.28 32.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.554 HD23 HD23 ' A' ' 109' ' ' LEU . 5.2 mt -66.94 173.85 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.3 p -83.89 -35.4 24.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.401 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.541 ' CD2' ' HB3' ' A' ' 103' ' ' TYR . 14.6 m-70 -130.54 171.86 12.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.606 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 53' ' ' SER . 14.6 mttp -80.83 173.14 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.407 ' CG2' ' CZ2' ' A' ' 105' ' ' TRP . 2.2 pp -151.85 166.64 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -95.24 80.24 3.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.676 HG21 ' O ' ' A' ' 52' ' ' SER . 29.6 p -42.47 -35.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.23 -51.15 71.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 37.0 m -75.74 -17.85 59.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 m -82.7 143.16 31.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.8 OUTLIER -138.19 179.26 6.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.961 ' CE3' HG21 ' A' ' 49' ' ' VAL . 4.0 p-90 -158.93 120.97 3.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 107.972 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.9 m -119.26 128.47 54.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.037 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.902 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -93.77 144.37 25.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.902 ' H ' HD22 ' A' ' 87' ' ' LEU . 1.6 mt-10 -123.58 135.57 26.28 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.634 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.03 121.43 6.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 58.05 55.51 30.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.097 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -157.74 -100.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -164.38 177.64 8.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 108.313 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.676 HG22 HD23 ' A' ' 87' ' ' LEU . 53.9 t -104.55 136.03 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.422 HD13 ' N ' ' A' ' 95' ' ' VAL . 2.2 tm? -111.08 132.44 54.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.847 HG22 ' HB2' ' A' ' 85' ' ' TRP . 53.4 t -136.98 141.24 41.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.455 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 3.0 m-80 -118.46 113.84 21.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.5 mt -98.06 118.02 33.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.7 142.78 33.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 110.038 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -82.02 137.06 35.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 100' ' ' VAL . 5.1 t -119.48 95.1 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.22 -179.99 50.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -85.08 94.47 8.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.541 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 51.6 m-85 -128.86 155.78 44.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 20.0 p90 -103.72 103.39 13.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.475 ' CE3' HD22 ' A' ' 31' ' ' LEU . 34.9 m95 -80.65 86.43 5.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 108.01 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' A' ' 107' ' ' ALA . 12.1 p30 -91.11 5.33 49.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 106' ' ' ASN . . . 177.46 133.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.534 HG21 ' HE1' ' A' ' 70' ' ' MET . 5.5 mm -56.97 -51.96 61.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.554 HD23 HD23 ' A' ' 74' ' ' LEU . 68.4 mt -105.82 166.95 10.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 31.0 p90 -149.44 129.84 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 m -87.22 149.81 24.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.628 ' CE3' HD11 ' A' ' 108' ' ' ILE . 21.8 p-90 -155.39 168.62 26.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 108.009 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.8 m -153.44 166.72 31.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.042 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -119.35 122.05 40.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -108.09 178.15 4.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -39.84 -55.78 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.4 71.91 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 169.46 159.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.622 HD11 ' HE2' ' A' ' 99' ' ' LYS . 2.7 mp -123.93 143.19 50.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -132.54 109.12 9.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -122.05 126.69 74.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -118.09 130.02 55.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.631 HG21 HG11 ' A' ' 58' ' ' VAL . 41.1 t -106.0 131.63 21.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.99 138.38 22.99 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.407 ' CG1' HG23 ' A' ' 93' ' ' VAL . 33.1 m -122.99 158.75 56.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.556 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.05 176.93 9.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -84.26 9.45 12.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.556 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 4.4 p-80 -109.57 -3.84 16.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.6 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.418 HG23 ' HG2' ' A' ' 38' ' ' PRO . 16.0 t -102.01 110.54 29.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.631 HG12 ' CB ' ' A' ' 89' ' ' PRO . 16.3 m -134.28 -41.17 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -78.68 147.52 33.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.1 0.6 58.47 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.21 -11.04 36.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -94.96 24.94 4.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.493 HG21 ' HG ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -155.83 140.37 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.11 130.36 55.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.641 HG21 ' CE3' ' A' ' 85' ' ' TRP . 42.8 t -129.8 138.54 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.26 109.39 10.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.0 mt -107.76 123.6 48.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.631 ' O ' HG21 ' A' ' 80' ' ' THR . 3.2 m -124.2 -67.2 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 52' ' ' SER . 79.9 p 176.76 -52.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 74' ' ' LEU . 47.2 p -120.38 27.58 8.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.996 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.82 153.97 40.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.039 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.918 HD11 HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -147.54 146.56 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.729 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.4 OUTLIER -142.97 130.51 21.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.918 HG23 HD11 ' A' ' 56' ' ' ILE . 58.1 t -136.53 113.4 13.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 67' ' ' ARG . . . -135.27 162.9 31.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.407 ' HG2' ' CG ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -142.13 135.0 28.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.589 1.181 . . . . 0.0 110.977 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 12.5 mt -69.97 130.76 43.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -97.26 -67.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -166.58 -68.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -89.81 -5.44 56.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -166.06 -134.78 1.73 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.446 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -157.16 177.41 11.52 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 0.737 . . . . 0.0 110.285 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 14.8 ttt180 -140.86 137.69 33.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.1 t -90.02 99.17 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.363 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.409 HD13 HG12 ' A' ' 35' ' ' VAL . 29.4 mt -62.66 -55.74 24.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 58' ' ' VAL . 21.0 ttt -134.66 143.46 47.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 10.8 tm-20 -171.51 154.99 3.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.659 ' O ' HD22 ' A' ' 109' ' ' LEU . . . 145.08 151.73 5.48 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -68.85 132.0 46.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.252 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 54' ' ' SER . 13.9 mt -67.73 160.91 27.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 108' ' ' ILE . 7.9 p -76.21 -26.35 56.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -141.89 -174.14 4.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.629 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -94.96 163.7 13.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.0 pp -138.61 -175.12 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -110.07 85.74 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.631 HG21 ' O ' ' A' ' 52' ' ' SER . 9.7 p -51.27 -21.1 1.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.384 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -73.54 -51.05 18.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.65 -23.75 45.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.2 m -76.43 143.3 40.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.943 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.446 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.6 OUTLIER -132.3 179.35 6.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.641 ' CE3' HG21 ' A' ' 49' ' ' VAL . 1.1 p-90 -159.8 121.53 3.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 0.0 107.97 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 m -124.2 159.12 30.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.848 HD22 ' H ' ' A' ' 88' ' ' GLU . 1.1 tm? -119.73 141.78 49.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.848 ' H ' HD22 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -123.67 135.52 26.26 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.631 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.99 123.77 8.14 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.47 1.774 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.37 59.41 9.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.433 1.083 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -159.54 -99.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -164.52 177.67 7.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 108.301 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.484 HG22 HD23 ' A' ' 87' ' ' LEU . 44.4 t -104.85 130.87 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.681 HD13 ' N ' ' A' ' 95' ' ' VAL . 2.0 tm? -98.61 138.12 36.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.681 ' N ' HD13 ' A' ' 94' ' ' LEU . 89.3 t -147.85 128.16 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.612 HD21 HD11 ' A' ' 94' ' ' LEU . 2.5 m-80 -110.92 130.2 55.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 96' ' ' ASN . 16.2 mt -116.82 115.17 25.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.89 140.11 31.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.622 ' HE2' HD11 ' A' ' 31' ' ' LEU . 44.9 mttt -87.89 131.7 34.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.7 m -92.07 40.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 144.12 -179.24 21.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -86.4 94.27 9.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 110.317 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -128.87 155.9 44.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.978 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.425 ' CG ' ' O ' ' A' ' 104' ' ' TRP . 20.8 p90 -103.54 93.06 4.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 107.993 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.494 ' CB ' HD21 ' A' ' 31' ' ' LEU . 18.7 m95 -66.71 86.07 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -61.97 -15.63 45.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -171.28 163.72 7.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.628 HD11 ' CE3' ' A' ' 24' ' ' TRP . 4.6 mm -78.17 -60.04 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.659 HD22 ' O ' ' A' ' 72' ' ' GLY . 43.0 mt -101.13 171.06 7.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 69' ' ' LEU . 10.5 t30 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 29.2 p90 -147.31 131.31 17.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.6 m -86.47 159.02 19.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.383 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.521 ' CG ' HG13 ' A' ' 108' ' ' ILE . 3.2 p-90 -162.03 160.84 28.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 107.95 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.448 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 5.4 p -153.93 158.67 41.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -110.63 131.94 54.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -115.85 -179.35 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -39.59 -52.26 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.54 ' O ' HG23 ' A' ' 29' ' ' THR . 6.4 t -154.93 68.9 0.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 167.86 171.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.522 HD21 ' CG ' ' A' ' 105' ' ' TRP . 0.3 OUTLIER -131.44 158.03 41.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -139.01 101.45 4.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.445 HG13 ' HB ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -110.18 116.64 52.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 49.5 mtm-85 -109.58 124.5 51.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 73.7 t -106.1 131.13 21.99 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.93 135.58 19.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.771 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.531 ' CG1' HG23 ' A' ' 93' ' ' VAL . 32.5 m -120.21 159.13 48.73 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.56 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.98 176.09 10.37 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -84.31 8.45 16.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.56 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 3.3 p-80 -106.6 -4.41 19.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.583 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.534 HG23 ' CD2' ' A' ' 40' ' ' HIS . 37.7 t -104.28 110.84 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.522 HG12 ' CB ' ' A' ' 89' ' ' PRO . 30.8 m -136.77 15.66 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -139.67 158.94 43.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.15 -22.96 46.55 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 ptmm? -72.11 -16.54 62.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 0.793 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 61' ' ' LEU . 5.8 mt-30 -81.51 -16.43 51.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -119.44 152.08 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.21 124.89 53.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.82 HG21 ' CD2' ' A' ' 85' ' ' TRP . 70.0 t -121.17 106.62 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.848 ' HB3' ' HB2' ' A' ' 57' ' ' ARG . . . -107.27 114.48 28.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.2 mt -118.27 140.37 49.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.605 ' O ' HG21 ' A' ' 80' ' ' THR . 27.9 m -132.4 -65.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.011 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 76.8 p 176.69 -51.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.039 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.0 p -117.1 33.12 5.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.0 t -162.94 174.84 11.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.684 ' CD1' HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -165.1 154.42 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.848 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -135.95 133.45 37.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.684 HG23 ' CD1' ' A' ' 56' ' ' ILE . 63.4 t -138.24 108.54 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.46 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -135.15 156.62 48.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.425 ' HE1' ' CE1' ' A' ' 40' ' ' HIS . 0.9 OUTLIER -137.14 141.38 42.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.51 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 7.4 mt -65.55 130.0 41.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.28 -172.87 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.54 -0.06 56.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 64' ' ' ASN . 11.5 p-10 -158.15 57.01 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.7 121.22 2.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.51 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 2.3 pm0 -44.0 165.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 12.6 ttt180 -132.99 136.17 45.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.521 HG21 ' NH1' ' A' ' 57' ' ' ARG . 71.5 t -82.53 99.94 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.453 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 30.5 mt -65.14 -50.73 64.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.407 ' O ' ' N ' ' A' ' 58' ' ' VAL . 19.0 ttt -139.91 139.66 36.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.451 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 12.3 tm-20 -172.44 148.92 2.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 0.0 110.33 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.457 ' O ' HD22 ' A' ' 109' ' ' LEU . . . 147.54 155.39 6.57 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.03 136.09 56.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 0.794 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.519 HD23 HD23 ' A' ' 109' ' ' LEU . 14.9 mt -76.66 175.83 8.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 108' ' ' ILE . 81.5 p -81.32 -40.95 22.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -130.34 -178.38 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.616 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -89.36 168.15 12.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 80' ' ' THR . 2.0 pp -145.75 -178.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -111.18 77.03 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.605 HG21 ' O ' ' A' ' 52' ' ' SER . 68.2 p -38.03 -47.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -54.25 -51.78 63.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -22.77 61.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.08 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.7 m -78.3 164.51 24.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.5 OUTLIER -147.94 179.45 7.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.82 ' CD2' HG21 ' A' ' 49' ' ' VAL . 3.0 p-90 -163.51 121.65 1.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 108.024 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -114.68 152.83 31.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.92 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -117.34 146.36 43.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.352 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.92 ' H ' HD22 ' A' ' 87' ' ' LEU . 7.1 mt-10 -127.46 135.78 27.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.522 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.95 120.62 6.16 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 57.03 46.77 91.11 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.528 1.143 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -145.31 -99.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -163.54 176.85 9.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 108.331 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.544 HG22 HD23 ' A' ' 87' ' ' LEU . 98.6 t -106.53 134.43 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.791 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.0 OUTLIER -104.07 128.5 51.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.791 ' N ' HD13 ' A' ' 94' ' ' LEU . 61.0 t -130.67 105.39 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.447 ' ND2' HD11 ' A' ' 94' ' ' LEU . 34.7 m120 -89.82 122.71 33.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.1 mt -107.36 125.74 51.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -103.0 105.54 15.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -60.06 143.53 51.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.4 m -90.06 45.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 136.64 172.4 12.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 111.047 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -69.67 94.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -129.08 156.0 44.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.41 ' O ' ' CG ' ' A' ' 104' ' ' TRP . 12.9 p90 -109.48 108.07 18.42 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.522 ' CG ' HD21 ' A' ' 31' ' ' LEU . 9.1 m95 -84.8 90.6 7.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 108.01 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -61.83 -14.73 36.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -169.43 163.46 10.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.521 HG13 ' CG ' ' A' ' 24' ' ' TRP . 10.8 mm -80.25 -60.46 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.519 HD23 HD23 ' A' ' 74' ' ' LEU . 56.0 mt -101.08 168.17 9.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.1 t30 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 42.4 p90 -161.86 127.46 3.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 p -86.49 151.78 23.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.643 ' CE3' HD11 ' A' ' 108' ' ' ILE . 10.9 p-90 -158.36 168.94 25.62 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.4 m -153.78 153.15 31.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.031 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.4 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 36.0 tt0 -108.3 129.33 55.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -132.74 178.63 6.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.465 ' C ' HG23 ' A' ' 29' ' ' THR . 1.0 OUTLIER -95.12 44.82 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.465 HG23 ' C ' ' A' ' 28' ' ' TYR . 37.7 p -154.19 -56.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.367 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -164.22 171.03 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mp -96.17 130.96 43.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.54 117.72 31.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -128.02 132.88 68.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.418 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 11.8 mtp85 -125.95 134.06 51.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.584 HG12 HD13 ' A' ' 69' ' ' LEU . 38.7 t -111.98 135.45 21.26 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.01 140.46 25.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.55 HG11 HG23 ' A' ' 93' ' ' VAL . 29.1 m -126.92 158.66 67.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.475 ' HG2' HG23 ' A' ' 41' ' ' VAL . 18.4 Cg_endo -74.94 177.28 8.77 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.468 1.772 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt -86.26 13.0 8.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.449 ' O ' ' NE2' ' A' ' 46' ' ' GLN . 3.5 p-80 -114.42 -3.0 13.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.626 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.475 HG23 ' HG2' ' A' ' 38' ' ' PRO . 21.1 t -103.26 112.38 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.522 HG12 ' CB ' ' A' ' 89' ' ' PRO . 18.9 m -131.37 -41.63 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.18 154.1 33.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.74 -16.8 76.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.65 -15.38 59.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 40' ' ' HIS . 7.0 mt-30 -79.43 -3.34 46.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.475 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -137.93 148.03 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.5 m -111.51 140.86 45.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.833 HG21 ' CD2' ' A' ' 85' ' ' TRP . 74.6 t -137.7 127.54 36.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.457 ' HB3' ' CB ' ' A' ' 57' ' ' ARG . . . -132.22 123.66 27.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.407 HD23 HG12 ' A' ' 56' ' ' ILE . 17.7 mt -123.18 134.79 54.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.672 ' O ' HG21 ' A' ' 80' ' ' THR . 16.0 m -126.59 -64.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.6 p 176.54 -53.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.17 33.93 5.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.5 t -163.52 174.14 12.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 1.016 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -165.08 157.15 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 1.016 ' N ' HD13 ' A' ' 56' ' ' ILE . 2.2 ttt180 -138.43 127.56 24.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.74 HG23 ' CD1' ' A' ' 56' ' ' ILE . 47.2 t -134.66 133.78 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.475 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -158.85 158.59 33.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.497 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -139.82 142.13 36.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.497 ' O ' ' CE ' ' A' ' 60' ' ' MET . 12.3 mt -74.7 128.62 36.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -93.07 -75.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.097 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.9 -68.12 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -89.11 -7.27 56.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -164.26 -134.75 1.7 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.468 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -154.94 -179.92 8.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.322 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -146.21 142.64 28.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 58' ' ' VAL . 88.4 t -92.43 97.73 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.584 HD13 HG12 ' A' ' 35' ' ' VAL . 51.1 mt -60.36 -52.6 64.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 20.4 ttt -138.21 145.26 41.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.453 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 10.4 tm-20 -177.98 154.43 0.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.453 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 139.39 160.81 8.49 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -71.5 136.19 47.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.629 HD23 HD23 ' A' ' 109' ' ' LEU . 17.0 mt -74.17 176.65 6.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.2 p -85.8 -30.87 22.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.483 ' NE2' ' CD1' ' A' ' 103' ' ' TYR . 1.6 m80 -139.54 -170.47 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.592 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -93.59 172.94 7.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.441 ' C ' ' CG2' ' A' ' 100' ' ' VAL . 2.3 pp -151.55 179.83 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 83' ' ' SER . 6.7 t-20 -108.54 81.11 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.672 HG21 ' O ' ' A' ' 52' ' ' SER . 69.5 p -46.06 -43.33 14.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -55.74 -51.7 66.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.33 -22.37 59.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 79' ' ' ASN . 17.1 m -73.56 162.03 29.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -152.98 179.34 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.833 ' CD2' HG21 ' A' ' 49' ' ' VAL . 3.5 p-90 -164.59 129.37 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 107.968 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.5 m -125.15 139.37 53.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.877 HD22 ' N ' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -103.07 140.07 37.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.877 ' N ' HD22 ' A' ' 87' ' ' LEU . 1.5 mt-10 -119.66 133.89 23.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.522 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.0 122.0 6.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 58.99 49.49 77.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.056 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.03 -97.71 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -163.35 176.86 9.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 108.326 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.829 HG22 HD23 ' A' ' 87' ' ' LEU . 50.0 t -103.6 131.51 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.733 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.5 tm? -99.76 129.02 45.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.733 ' N ' HD13 ' A' ' 94' ' ' LEU . 78.1 t -136.33 113.23 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -99.99 120.91 40.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.2 mt -109.24 125.03 51.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.2 t -81.15 157.94 25.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -98.08 130.54 44.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.246 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.441 ' CG2' ' C ' ' A' ' 78' ' ' ILE . 3.3 t -110.48 99.82 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 69.98 154.22 1.04 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.7 93.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.483 ' CD1' ' NE2' ' A' ' 76' ' ' HIS . 18.5 m-85 -129.78 155.9 45.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.546 ' CD1' ' ND2' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -79.24 154.39 29.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 108.031 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.498 ' O ' ' CZ2' ' A' ' 104' ' ' TRP . 9.2 m95 -135.32 -73.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 108.037 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.653 ' O ' ' HB2' ' A' ' 107' ' ' ALA . 2.0 m-80 50.55 22.75 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.653 ' HB2' ' O ' ' A' ' 106' ' ' ASN . . . 165.18 142.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.643 HD11 ' CE3' ' A' ' 24' ' ' TRP . 2.8 mm -77.17 -59.26 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.629 HD23 HD23 ' A' ' 74' ' ' LEU . 69.5 mt -96.45 164.22 12.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.599 ' CD2' ' SD ' ' A' ' 70' ' ' MET . 41.0 p90 -124.8 132.28 53.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.0 m -87.24 149.78 24.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.655 ' CE3' HD11 ' A' ' 108' ' ' ILE . 23.7 p-90 -155.64 169.41 24.39 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 p -153.63 150.23 28.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.952 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -108.65 120.98 44.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -131.91 169.97 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.431 ' C ' HG23 ' A' ' 29' ' ' THR . 32.4 m-85 -87.67 45.92 1.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.431 HG23 ' C ' ' A' ' 28' ' ' TYR . 58.2 p -151.77 -50.21 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.374 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.3 p30 -172.69 177.39 2.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.432 HD21 ' CB ' ' A' ' 105' ' ' TRP . 3.2 mp -105.28 123.84 48.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -110.38 111.13 22.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.87 124.66 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 34' ' ' ARG . 8.4 mtm105 -118.19 134.25 55.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.541 HG21 HG11 ' A' ' 58' ' ' VAL . 57.5 t -111.11 133.49 21.3 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.01 139.96 24.85 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.55 1.816 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.478 ' CG1' HG23 ' A' ' 93' ' ' VAL . 28.7 m -125.05 158.55 62.83 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.537 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -74.98 177.65 8.3 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.527 1.804 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -86.14 12.09 10.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.537 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 6.9 p-80 -113.5 -3.0 13.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.621 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.472 HG23 ' HG2' ' A' ' 38' ' ' PRO . 24.5 t -104.21 112.44 37.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.514 HG12 ' CB ' ' A' ' 89' ' ' PRO . 18.6 m -132.22 -41.8 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -77.81 148.38 34.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.5 -11.29 85.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.82 -13.2 57.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.763 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -86.06 3.96 40.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -138.62 143.8 31.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.63 129.4 56.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.733 HG21 ' CE3' ' A' ' 85' ' ' TRP . 91.0 t -132.27 119.1 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -115.73 123.72 49.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 66.6 mt -125.81 132.78 52.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.666 ' O ' HG21 ' A' ' 80' ' ' THR . 58.4 m -133.67 -57.89 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.032 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 52' ' ' SER . 26.0 t 173.76 -51.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.934 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.1 p -123.17 39.11 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.411 ' N ' HD12 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -161.99 146.06 12.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.994 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -144.66 151.37 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.994 ' N ' HD13 ' A' ' 56' ' ' ILE . 3.5 ttt180 -142.08 136.24 29.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.644 HG23 ' CD1' ' A' ' 56' ' ' ILE . 15.0 t -140.65 100.57 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -125.16 158.34 34.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.473 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -138.06 143.75 40.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 12.9 mt -77.67 129.71 35.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -93.63 -71.86 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.21 -67.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.279 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -90.49 -7.7 52.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -162.98 -134.88 1.72 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -156.57 -177.45 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 0.799 . . . . 0.0 110.269 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -149.52 139.38 21.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.403 ' CG1' ' HB2' ' A' ' 71' ' ' GLU . 74.1 t -89.29 97.16 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.473 HD21 ' HG2' ' A' ' 60' ' ' MET . 43.8 mt -59.5 -59.23 5.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.599 ' SD ' ' CD2' ' A' ' 22' ' ' TYR . 18.5 ttt -133.08 131.79 40.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 9.2 tm-20 -161.33 153.06 19.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.809 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 149.22 150.34 5.2 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 110.95 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.87 126.05 28.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.744 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 108' ' ' ILE . 17.2 mt -60.99 158.11 14.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.4 p -72.19 -37.0 69.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -133.49 -174.68 3.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.596 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -90.41 171.86 9.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.411 ' C ' HG13 ' A' ' 100' ' ' VAL . 1.8 pp -146.67 -171.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -114.35 74.83 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.666 HG21 ' O ' ' A' ' 52' ' ' SER . 82.8 p -40.64 -38.64 0.92 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.435 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -58.51 -50.85 72.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.5 m -77.24 -22.75 51.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.9 m -74.81 159.04 32.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -151.4 179.45 8.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.733 ' CE3' HG21 ' A' ' 49' ' ' VAL . 3.7 p-90 -164.4 127.22 2.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 107.996 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.1 p -125.45 139.42 53.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.836 HD22 ' H ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -101.25 139.9 36.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.836 ' H ' HD22 ' A' ' 87' ' ' LEU . 3.4 mt-10 -119.23 133.4 23.74 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.514 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.03 124.75 8.84 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.02 45.88 85.92 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.08 -101.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -160.93 177.0 10.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 108.324 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.628 HG22 HD23 ' A' ' 87' ' ' LEU . 61.3 t -101.25 134.72 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.514 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.9 tm? -102.36 132.58 48.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.514 ' N ' HD13 ' A' ' 94' ' ' LEU . 93.4 t -139.08 124.99 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.446 ' O ' HD23 ' A' ' 97' ' ' LEU . 2.2 m-80 -112.56 127.12 55.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 96' ' ' ASN . 16.2 mt -115.63 118.65 33.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.12 111.49 23.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.559 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 21.8 mttt -58.06 142.42 46.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.411 HG13 ' C ' ' A' ' 78' ' ' ILE . 18.5 m -88.75 44.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 128.23 175.23 14.0 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.4 94.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -128.51 155.87 44.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 16.6 t-105 -104.61 118.35 36.37 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.559 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 13.8 m95 -98.97 125.29 44.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 108.042 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -109.33 -1.59 18.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.432 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . . . -175.56 161.66 2.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.655 HD11 ' CE3' ' A' ' 24' ' ' TRP . 8.6 mm -85.96 -45.51 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.809 HD13 ' HA3' ' A' ' 72' ' ' GLY . 42.6 mt -113.28 162.1 16.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 25.9 p90 -165.22 131.96 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 m -86.92 148.99 25.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 110.45 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.517 ' CG ' HG13 ' A' ' 108' ' ' ILE . 16.1 p-90 -159.78 162.34 34.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 107.963 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 82.0 p -152.58 175.97 12.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -136.72 111.99 9.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -131.2 141.49 50.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 57.44 -83.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.7 t -167.08 53.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.42 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -154.0 164.86 37.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.49 HD21 ' HB3' ' A' ' 105' ' ' TRP . 1.8 mp -123.94 110.87 15.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.57 109.22 21.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.37 132.42 67.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.82 133.06 55.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.422 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 44.1 t -111.35 129.24 24.27 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 137.88 22.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.1 m -123.66 158.59 58.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.563 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -74.94 176.84 9.36 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.782 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -86.27 13.38 8.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.563 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 6.3 p-80 -113.73 -3.9 13.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.576 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.493 HG23 ' HG2' ' A' ' 38' ' ' PRO . 38.1 t -103.8 110.59 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.5 HG12 ' CB ' ' A' ' 89' ' ' PRO . 15.7 m -128.62 -40.7 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -79.23 156.13 28.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.8 -26.01 57.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -10.77 60.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -86.21 -2.29 58.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -139.53 134.01 38.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.6 124.23 41.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.713 HG21 ' CE3' ' A' ' 85' ' ' TRP . 77.1 t -127.32 116.21 43.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.47 ' HB3' ' CB ' ' A' ' 57' ' ' ARG . . . -114.86 108.22 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.6 mt -93.71 126.62 38.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.76 148.52 47.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 77' ' ' LYS . 1.6 m -51.22 -29.37 14.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.4 ' C ' ' OG ' ' A' ' 55' ' ' SER . 3.1 p -149.73 61.19 1.0 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.057 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.4 ' OG ' ' C ' ' A' ' 54' ' ' SER . 0.0 OUTLIER 168.63 138.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 1.036 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -135.84 148.91 27.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 1.036 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -136.74 129.37 30.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.74 HG23 ' CD1' ' A' ' 56' ' ' ILE . 88.1 t -132.68 133.16 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.424 ' O ' ' HA ' ' A' ' 47' ' ' VAL . . . -159.36 149.85 19.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.53 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -128.14 132.32 48.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.475 ' O ' ' CE ' ' A' ' 60' ' ' MET . 7.9 mt -62.52 138.09 58.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -107.16 -174.64 2.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -68.34 -33.92 75.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -135.94 57.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.75 -135.03 7.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.01 178.94 9.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -149.65 143.41 25.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.323 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 58' ' ' VAL . 57.3 t -94.41 98.49 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.173 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.53 HD21 ' HG2' ' A' ' 60' ' ' MET . 29.1 mt -62.88 -53.55 52.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.416 ' O ' ' N ' ' A' ' 58' ' ' VAL . 24.7 ttt -137.93 154.33 49.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.419 ' CG ' ' N ' ' A' ' 72' ' ' GLY . 45.3 tt0 170.68 154.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.419 ' N ' ' CG ' ' A' ' 71' ' ' GLU . . . 147.54 159.52 8.42 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.16 121.01 22.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.503 HD23 HD23 ' A' ' 109' ' ' LEU . 53.9 mt -57.94 164.45 2.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.4 p -73.27 -47.19 45.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -127.87 174.72 8.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.608 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 53' ' ' SER . 19.9 mmtt -70.37 169.01 14.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.535 HD12 ' N ' ' A' ' 79' ' ' ASN . 2.0 pp -145.88 -166.84 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.535 ' N ' HD12 ' A' ' 78' ' ' ILE . 3.3 t-20 -120.35 89.27 3.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.419 HG23 ' HA ' ' A' ' 53' ' ' SER . 38.7 p -62.32 -24.36 67.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -70.48 -52.52 21.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.8 m -74.81 -30.69 61.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.7 m -64.22 160.9 17.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.13 . . . . 0.0 109.966 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 1.1 pp -151.95 179.35 8.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.713 ' CE3' HG21 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -164.57 123.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.2 m -124.43 129.06 49.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 110.006 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.851 HD22 ' H ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -90.0 140.65 29.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.851 ' H ' HD22 ' A' ' 87' ' ' LEU . 1.4 mt-10 -121.08 134.16 24.33 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.5 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.98 122.87 7.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.32 55.14 31.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.23 -100.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.2 p -164.51 177.43 8.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 108.241 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.52 HG22 HD23 ' A' ' 87' ' ' LEU . 72.5 t -103.86 129.89 55.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.42 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.6 tm? -103.53 129.98 50.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.686 HG22 ' HB2' ' A' ' 85' ' ' TRP . 76.7 t -135.98 144.92 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.618 ' O ' HD23 ' A' ' 97' ' ' LEU . 3.4 m-80 -125.53 129.59 50.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.618 HD23 ' O ' ' A' ' 96' ' ' ASN . 22.4 mt -121.32 122.93 40.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.52 99.06 10.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.563 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 8.8 ptpt -62.54 93.58 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.411 HG13 ' C ' ' A' ' 78' ' ' ILE . 18.1 m -44.73 145.2 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 56.9 -151.61 25.48 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.75 93.75 4.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' A' ' 103' ' ' TYR . 8.4 m-85 -129.27 144.15 51.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.603 ' O ' ' CE3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -73.93 128.88 36.68 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.563 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 17.0 m95 -112.25 87.73 2.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 107.993 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.576 ' O ' ' HB2' ' A' ' 107' ' ' ALA . 4.4 m-20 -95.16 23.76 5.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 106' ' ' ASN . . . 171.49 138.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.517 HG13 ' CG ' ' A' ' 24' ' ' TRP . 5.2 mm -72.18 -54.15 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.503 HD23 HD23 ' A' ' 74' ' ' LEU . 34.9 mt -102.39 163.66 12.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 110.324 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 69' ' ' LEU . 44.3 t30 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 30.2 p90 -154.45 130.48 10.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -87.09 154.77 20.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.42 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.486 ' CG ' HG13 ' A' ' 108' ' ' ILE . 16.3 p-90 -161.18 163.84 30.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 108.025 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.8 p -152.76 177.14 11.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -142.56 119.77 11.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -133.63 132.67 41.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.242 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 65.16 -70.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.7 OUTLIER -179.19 59.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.436 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -151.99 170.23 20.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mp -133.17 101.11 5.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.79 109.59 21.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.403 HG21 ' SD ' ' A' ' 70' ' ' MET . 0.2 OUTLIER -112.91 125.39 70.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -111.08 129.74 55.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.584 HG21 HG11 ' A' ' 58' ' ' VAL . 10.2 t -110.92 133.03 21.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -74.98 139.61 24.53 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.466 1.772 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.469 ' CG1' HG23 ' A' ' 93' ' ' VAL . 31.2 m -123.69 159.11 57.15 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.594 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.1 Cg_endo -75.07 176.54 9.79 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.481 1.779 . . . . 0.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -84.95 9.61 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.594 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 4.8 p-80 -108.98 -3.78 17.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.477 HG23 ' CD2' ' A' ' 40' ' ' HIS . 25.8 t -103.23 111.4 32.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.508 HG12 ' CB ' ' A' ' 89' ' ' PRO . 31.4 m -137.29 13.7 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -137.63 159.78 41.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -80.12 -34.27 30.36 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.561 1.163 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.5 -17.04 63.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.759 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -80.49 -11.85 59.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -131.95 131.33 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.43 120.54 33.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.848 HG11 ' CG ' ' A' ' 85' ' ' TRP . 39.4 t -125.11 114.83 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.527 ' HB3' ' HB3' ' A' ' 57' ' ' ARG . . . -114.22 109.17 17.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.2 mt -92.07 121.12 33.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.16 148.5 50.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.993 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -51.34 -28.69 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.992 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.3 p -150.21 58.35 0.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 170.59 138.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 1.003 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -135.63 148.98 28.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 1.003 ' N ' HD13 ' A' ' 56' ' ' ILE . 27.6 ttt180 -134.26 133.4 40.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.322 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.618 HG23 ' CD1' ' A' ' 56' ' ' ILE . 22.2 t -134.68 122.56 39.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.452 ' HB2' HG22 ' A' ' 68' ' ' VAL . . . -148.46 158.6 44.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.506 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -137.17 145.02 43.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.506 ' O ' ' CE ' ' A' ' 60' ' ' MET . 16.6 mt -78.04 128.77 34.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -93.09 -72.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -162.66 -67.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -87.7 -6.73 58.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -166.49 -133.94 1.61 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.469 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -156.04 175.13 14.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.737 . . . . 0.0 110.304 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -141.39 136.87 31.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.712 HG11 ' OE1' ' A' ' 71' ' ' GLU . 69.7 t -88.06 99.18 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.447 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 38.3 mt -61.51 -59.92 4.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.403 ' SD ' HG21 ' A' ' 33' ' ' VAL . 13.4 ttt -127.57 145.97 50.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.712 ' OE1' HG11 ' A' ' 68' ' ' VAL . 1.4 tt0 -173.09 155.01 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.662 ' O ' HD22 ' A' ' 109' ' ' LEU . . . 145.64 150.4 5.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -72.59 119.06 16.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 0.777 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.468 HD23 HD23 ' A' ' 109' ' ' LEU . 53.1 mt -48.59 170.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.4 p -86.89 -40.08 15.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.498 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 4.9 m-70 -125.86 174.33 8.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -80.08 156.66 26.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.465 HD11 HG22 ' A' ' 80' ' ' THR . 1.9 pp -134.54 -172.74 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -119.17 88.42 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.465 HG22 HD11 ' A' ' 78' ' ' ILE . 68.0 p -58.12 -16.61 13.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.404 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -76.47 -44.72 34.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.81 -18.45 27.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.049 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.3 m -74.37 160.09 31.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.985 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.3 OUTLIER -155.21 179.52 9.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.848 ' CG ' HG11 ' A' ' 49' ' ' VAL . 2.6 p-90 -162.26 137.06 6.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.01 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.1 m -127.4 153.7 45.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.992 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.922 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -116.28 146.48 42.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.922 ' H ' HD22 ' A' ' 87' ' ' LEU . 9.2 mt-10 -127.23 135.48 27.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.508 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.1 Cg_endo -75.05 119.18 5.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 58.27 49.33 77.01 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -149.13 -99.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.2 p -163.75 173.64 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.313 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.469 HG23 ' CG1' ' A' ' 37' ' ' VAL . 75.7 t -99.78 143.46 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.586 HD13 ' N ' ' A' ' 95' ' ' VAL . 2.4 tm? -111.12 132.19 54.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.586 ' N ' HD13 ' A' ' 94' ' ' LEU . 74.4 t -134.78 128.41 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.589 ' O ' HD23 ' A' ' 97' ' ' LEU . 2.9 m-80 -113.2 126.96 56.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 96' ' ' ASN . 21.4 mt -120.58 119.31 32.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.94 117.82 33.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.513 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 24.3 mttt -61.65 141.84 57.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.403 HG13 ' HA ' ' A' ' 78' ' ' ILE . 24.6 m -94.51 45.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.02 -141.92 13.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -125.11 94.62 4.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -127.72 155.65 43.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -81.71 115.57 21.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 107.979 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.513 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 10.7 m95 -99.27 -70.25 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 107.969 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 105' ' ' TRP . 0.6 OUTLIER 79.56 -54.59 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -124.62 160.23 28.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.486 HG13 ' CG ' ' A' ' 24' ' ' TRP . 6.2 mm -77.05 -54.21 13.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.662 HD22 ' O ' ' A' ' 72' ' ' GLY . 30.1 mt -107.3 169.78 8.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.326 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 31.0 p90 -153.64 133.06 12.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.103 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.8 m -86.41 154.75 20.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.516 ' CG ' HG13 ' A' ' 108' ' ' ILE . 5.2 p-90 -159.26 161.9 36.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.0 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.0 m -150.84 158.25 43.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.967 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -112.24 126.69 55.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.365 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -113.81 176.32 5.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -37.3 -59.27 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -148.15 66.8 1.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.43 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.413 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 0.7 OUTLIER 172.47 167.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.578 HD11 ' HE3' ' A' ' 99' ' ' LYS . 0.7 OUTLIER -133.42 158.55 42.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -144.15 106.34 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.41 122.54 68.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 0.0 OUTLIER -111.31 132.21 54.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.459 HG21 HG11 ' A' ' 58' ' ' VAL . 3.4 t -113.27 127.51 26.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 136.59 20.59 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.9 m -120.41 158.51 50.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.547 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.1 Cg_endo -75.06 177.39 8.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 110.963 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.71 12.61 8.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.547 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 8.2 p-80 -114.7 -2.86 12.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.473 1.108 . . . . 0.0 109.61 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.458 HG23 ' HG2' ' A' ' 38' ' ' PRO . 17.4 t -103.89 111.06 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.524 HG12 ' CB ' ' A' ' 89' ' ' PRO . 15.5 m -130.78 -41.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.64 152.09 28.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.61 -7.74 87.78 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.448 1.093 . . . . 0.0 111.045 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -83.04 -13.45 55.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 0.769 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 61' ' ' LEU . 3.2 mt-30 -83.49 -21.9 32.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -114.79 149.57 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 109.309 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.08 134.13 55.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.664 HG21 ' CE3' ' A' ' 85' ' ' TRP . 55.6 t -133.16 130.83 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -126.94 123.42 37.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.8 mt -122.88 121.83 37.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.558 ' O ' HG21 ' A' ' 80' ' ' THR . 1.9 m -123.64 -65.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 52' ' ' SER . 93.1 p 177.64 -50.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.97 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.05 33.74 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.966 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.4 151.62 30.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.837 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -150.6 148.09 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.837 ' N ' HD13 ' A' ' 56' ' ' ILE . 2.7 ttt180 -143.81 133.72 24.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.701 HG23 HD11 ' A' ' 56' ' ' ILE . 43.1 t -137.08 107.38 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.498 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -128.47 159.36 35.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.464 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -139.93 144.96 37.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.464 ' O ' ' CE ' ' A' ' 60' ' ' MET . 8.2 mt -74.58 129.2 37.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -96.51 -62.53 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -168.38 -78.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.56 -11.77 59.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -157.05 -133.4 1.6 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.462 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 1.3 pm0 -156.94 175.91 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.423 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 26.7 ttp180 -138.45 147.15 42.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 79.8 t -97.88 97.18 5.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.8 mt -59.79 -59.24 5.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.513 ' SD ' ' CG ' ' A' ' 22' ' ' TYR . 24.5 ttt -131.41 144.66 51.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 111.051 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.448 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 12.6 tm-20 -172.51 151.95 2.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.807 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 151.09 153.34 6.13 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.115 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -74.68 114.48 13.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.41 HD23 HD23 ' A' ' 109' ' ' LEU . 18.4 mt -47.11 170.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.1 p -85.26 -38.77 18.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -131.2 173.86 10.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.618 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -82.08 161.89 22.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.9 pp -138.03 -171.24 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 80' ' ' THR . 16.5 t-20 -116.96 78.08 1.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.558 HG21 ' O ' ' A' ' 52' ' ' SER . 49.0 p -37.35 -43.48 0.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -53.65 -54.39 38.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.9 -31.19 67.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.9 m -71.94 136.45 46.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.476 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -122.58 178.96 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.717 ' HB2' HG22 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -164.87 122.44 1.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 108.044 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.7 m -129.71 130.82 45.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.903 HD22 ' N ' ' A' ' 88' ' ' GLU . 0.7 OUTLIER -90.65 141.52 28.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.903 ' N ' HD22 ' A' ' 87' ' ' LEU . 4.8 mt-10 -119.48 133.63 23.8 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.524 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.0 126.79 10.2 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.445 1.761 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 52.81 42.56 59.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -142.14 -104.59 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.4 p -164.08 177.03 8.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 108.278 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 35' ' ' VAL . 79.0 t -99.06 145.0 11.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.748 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.4 tm? -125.8 127.99 46.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.748 ' N ' HD13 ' A' ' 94' ' ' LEU . 74.4 t -136.36 140.84 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.474 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 1.8 m-80 -117.1 123.69 47.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.4 mt -105.77 113.88 27.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.42 101.8 14.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.578 ' HE3' HD11 ' A' ' 31' ' ' LEU . 12.6 mttt -55.47 140.33 40.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 26.1 m -89.93 43.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 141.81 169.54 12.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -71.42 94.2 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -128.89 156.16 44.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.463 ' CG ' ' O ' ' A' ' 104' ' ' TRP . 17.4 p90 -105.46 93.41 4.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 107.999 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.544 ' CB ' HD21 ' A' ' 31' ' ' LEU . 9.4 m95 -69.52 88.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -55.8 -20.6 15.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.435 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . . . -161.49 -175.91 5.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.516 HG13 ' CG ' ' A' ' 24' ' ' TRP . 6.9 mm -97.18 -47.67 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.807 HD13 ' HA3' ' A' ' 72' ' ' GLY . 59.4 mt -109.21 174.02 6.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.477 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 7.9 t30 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.477 ' CD2' ' HB3' ' A' ' 21' ' ' ASN . 30.7 p90 -157.32 135.36 10.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -86.43 142.83 28.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.561 ' CZ2' ' HA ' ' A' ' 107' ' ' ALA . 19.0 p-90 -152.9 160.07 43.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 108.035 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.1 m -147.9 162.55 39.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -118.81 130.98 56.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -117.42 179.5 4.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -39.72 -59.0 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 111.05 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 29' ' ' THR . 6.8 t -151.05 75.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.377 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 165.97 142.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mp -113.9 152.6 30.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.443 ' OE2' HD21 ' A' ' 94' ' ' LEU . 2.1 tt0 -148.74 118.05 6.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.342 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -123.63 130.93 73.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.572 ' CZ ' HD23 ' A' ' 94' ' ' LEU . 36.9 mtt85 -114.62 131.71 56.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.574 HG21 HG11 ' A' ' 58' ' ' VAL . 56.8 t -113.21 131.68 22.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.03 141.53 26.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.956 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.543 HG11 HG23 ' A' ' 93' ' ' VAL . 28.4 m -126.52 158.43 67.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.498 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.06 177.08 9.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -84.78 10.05 12.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.498 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 4.1 p-80 -111.14 -3.21 15.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.605 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.443 HG23 ' HG2' ' A' ' 38' ' ' PRO . 13.5 t -102.83 111.25 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.561 HG12 ' CB ' ' A' ' 89' ' ' PRO . 22.2 m -133.47 -41.88 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -84.02 127.84 34.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -50.41 -29.56 17.09 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -13.09 43.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -80.31 -14.26 58.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.245 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -129.43 156.37 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -118.11 139.91 50.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.843 HG21 ' CE3' ' A' ' 85' ' ' TRP . 39.6 t -137.3 135.54 47.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.412 ' HB3' ' HB2' ' A' ' 57' ' ' ARG . . . -132.8 124.26 27.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.0 mt -123.72 117.26 24.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.613 ' O ' HG21 ' A' ' 80' ' ' THR . 0.1 OUTLIER -121.07 -64.09 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' ' 52' ' ' SER . 79.8 p 176.48 -52.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.033 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.84 36.15 4.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.4 147.33 20.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 1.013 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -142.98 150.83 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 1.013 ' N ' HD13 ' A' ' 56' ' ' ILE . 1.1 ttt180 -139.69 131.71 27.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.628 HG23 ' CD1' ' A' ' 56' ' ' ILE . 10.7 t -140.9 104.77 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.536 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -130.44 157.66 42.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.527 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -138.47 143.84 39.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.496 ' O ' ' CE ' ' A' ' 60' ' ' MET . 14.0 mt -77.37 132.33 38.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -95.86 -68.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -164.4 -67.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -92.21 -6.31 50.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -162.17 -135.12 1.76 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.474 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 1.7 pm0 -158.29 176.59 12.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 0.78 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -142.05 139.26 32.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.8 t -88.15 97.2 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.527 HD21 ' HG2' ' A' ' 60' ' ' MET . 43.1 mt -60.36 -55.42 33.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 58' ' ' VAL . 17.3 ttt -141.68 145.14 34.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 72' ' ' GLY . 59.3 tt0 -179.01 158.04 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.49 ' O ' HD22 ' A' ' 109' ' ' LEU . . . 142.36 157.22 7.07 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -65.64 126.93 29.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.2 mt -66.44 162.42 20.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 109' ' ' LEU . 44.4 p -71.33 -42.51 68.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.439 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.569 ' CD2' ' CD1' ' A' ' 103' ' ' TYR . 43.0 m80 -128.56 -176.11 3.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.591 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 53' ' ' SER . 37.4 mttt -88.59 170.63 10.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.413 ' CG2' ' CZ2' ' A' ' 105' ' ' TRP . 2.3 pp -150.42 164.99 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.364 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 82' ' ' SER . 1.2 t-20 -95.76 77.93 3.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.613 HG21 ' O ' ' A' ' 52' ' ' SER . 69.9 p -38.2 -34.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.419 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -56.67 -53.26 59.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 79' ' ' ASN . 5.2 m -74.37 -28.26 61.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.2 m -68.93 142.79 54.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -136.7 179.49 6.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.843 ' CE3' HG21 ' A' ' 49' ' ' VAL . 1.1 p-90 -165.19 127.23 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.6 p -129.86 129.24 43.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.855 HD23 HG22 ' A' ' 93' ' ' VAL . 0.9 OUTLIER -90.46 140.54 29.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.855 ' H ' HD22 ' A' ' 87' ' ' LEU . 1.4 mt-10 -119.57 133.43 23.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.26 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.561 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.98 122.61 7.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.459 1.768 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 57.16 48.96 75.83 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -151.36 -101.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -161.68 176.22 11.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 108.318 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.855 HG22 HD23 ' A' ' 87' ' ' LEU . 53.7 t -108.53 123.31 64.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.767 HD13 ' C ' ' A' ' 94' ' ' LEU . 1.5 tm? -98.39 127.74 44.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.649 HG22 ' HB2' ' A' ' 85' ' ' TRP . 69.7 t -131.66 116.77 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.04 128.64 44.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.2 mt -111.83 136.95 50.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.2 t -94.07 152.07 19.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.531 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 18.6 mttt -89.32 139.54 30.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.3 t -128.21 93.27 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.81 158.43 30.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -69.57 94.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.569 ' CD1' ' CD2' ' A' ' 76' ' ' HIS . 20.2 m-85 -128.58 155.39 45.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 26.2 p90 -100.43 99.16 9.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 108.032 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.531 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 31.9 m95 -74.17 83.56 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.013 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -73.91 -5.07 38.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.561 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . . . -177.23 -172.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.462 HD11 ' CE3' ' A' ' 24' ' ' TRP . 4.9 mm -100.94 -53.22 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.49 HD22 ' O ' ' A' ' 72' ' ' GLY . 78.2 mt -102.94 -177.11 3.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.269 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.7 t30 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.546 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 38.4 p90 -164.79 130.3 2.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.8 m -87.02 148.99 25.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.505 ' CD2' HG12 ' A' ' 108' ' ' ILE . 5.5 p-90 -146.78 161.91 39.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 107.952 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.465 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 8.4 p -147.91 169.51 19.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.986 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -126.03 140.36 52.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.358 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.462 ' OD1' ' CB ' ' A' ' 30' ' ' ASP . 0.9 OUTLIER -132.75 -179.18 5.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 27' ' ' ASP . 3.1 m-85 -37.12 -62.23 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.9 p -148.95 75.92 1.32 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.383 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.462 ' CB ' ' OD1' ' A' ' 27' ' ' ASP . 0.2 OUTLIER 166.96 162.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.504 HD11 ' HE3' ' A' ' 99' ' ' LYS . 1.9 mp -128.49 145.34 51.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -129.63 113.11 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -122.83 117.04 50.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -106.85 126.54 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.685 HG21 HG11 ' A' ' 58' ' ' VAL . 58.5 t -106.81 130.19 23.26 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.99 139.03 23.83 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.491 1.785 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.427 ' CG1' HG23 ' A' ' 93' ' ' VAL . 32.6 m -123.83 159.18 57.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.48 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.03 176.98 9.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -85.92 12.38 9.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.48 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 4.4 p-80 -113.38 -3.74 13.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.606 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.438 HG23 ' HG2' ' A' ' 38' ' ' PRO . 12.1 t -101.48 103.67 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.525 HG12 ' CB ' ' A' ' 89' ' ' PRO . 12.1 m -125.46 -39.21 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -82.19 139.49 34.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.73 -1.57 58.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -10.81 35.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 0.804 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -94.88 17.7 13.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.14 129.21 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.35 121.14 41.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 110.049 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.57 HG21 ' CZ3' ' A' ' 85' ' ' TRP . 42.7 t -128.56 131.6 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 57' ' ' ARG . . . -127.28 111.88 14.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.427 1.08 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.473 HD23 ' HA ' ' A' ' 51' ' ' LEU . 15.0 mt -92.05 117.87 30.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.498 ' C ' ' CG2' ' A' ' 80' ' ' THR . 4.7 m -117.05 168.69 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 77' ' ' LYS . 3.5 m -72.9 -33.37 65.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.9 p -138.47 38.93 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 m -167.83 173.98 7.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.995 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -164.36 153.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.142 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.995 ' N ' HD13 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -136.84 135.71 38.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.685 HG11 HG21 ' A' ' 35' ' ' VAL . 11.3 t -141.35 105.02 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 67' ' ' ARG . . . -132.13 155.01 48.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.481 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -132.22 137.94 47.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.422 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 14.4 mt -73.79 133.32 43.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -98.64 -65.0 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.66 -66.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -90.64 -7.23 53.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -163.94 -133.82 1.55 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.422 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -160.05 -178.25 6.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.785 . . . . 0.0 110.312 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 8.1 ttt180 -146.06 140.64 26.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.36 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.0 t -90.62 101.97 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.481 HD21 ' HG2' ' A' ' 60' ' ' MET . 33.4 mt -66.77 -48.55 68.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.511 ' HE3' HG21 ' A' ' 108' ' ' ILE . 20.1 ttt -145.16 133.11 21.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -164.29 149.59 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.737 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 148.55 158.36 7.97 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.28 139.67 50.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.476 HD23 HD23 ' A' ' 109' ' ' LEU . 16.1 mt -75.22 169.11 18.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.3 p -78.93 -45.09 21.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.386 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 38.4 m80 -126.61 161.15 28.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.609 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 53' ' ' SER . 6.4 mmtt -66.25 168.27 8.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' SER . 1.7 pp -147.56 -166.91 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.404 ' N ' HD12 ' A' ' 78' ' ' ILE . 6.7 t-20 -121.75 85.38 2.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.498 ' CG2' ' C ' ' A' ' 52' ' ' SER . 25.2 p -48.58 -40.86 28.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.435 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -55.44 -55.38 32.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.401 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 0.3 OUTLIER -71.51 -25.89 62.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.0 m -77.02 139.94 40.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' A' ' 96' ' ' ASN . 1.1 pp -137.33 179.17 6.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.732 ' HB2' HG22 ' A' ' 95' ' ' VAL . 5.6 p-90 -159.77 150.84 19.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 107.968 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.8 m -140.87 159.01 43.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.855 HD22 ' H ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -114.24 140.65 48.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.855 ' H ' HD22 ' A' ' 87' ' ' LEU . 6.1 mt-10 -122.45 133.44 24.4 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.525 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.93 119.0 5.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 57.31 50.6 63.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -149.85 -102.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -163.45 175.28 10.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 108.355 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.427 HG23 ' CG1' ' A' ' 37' ' ' VAL . 97.5 t -103.65 138.15 29.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.767 HD13 ' N ' ' A' ' 95' ' ' VAL . 2.1 tm? -110.3 134.55 52.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.767 ' N ' HD13 ' A' ' 94' ' ' LEU . 66.9 t -136.83 123.34 29.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.568 ' HB2' HD12 ' A' ' 84' ' ' LEU . 17.9 m120 -105.55 114.14 28.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.0 mt -103.12 120.28 40.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.401 ' CB ' ' HB3' ' A' ' 82' ' ' SER . 0.4 OUTLIER -97.85 125.63 42.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.512 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 15.5 mttt -76.52 149.65 36.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 17.1 m -92.37 42.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 143.9 -163.61 27.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -95.97 94.76 7.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -128.32 155.24 44.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.561 ' O ' ' CD1' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -104.85 112.1 25.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 108.019 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.512 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 8.3 m95 -91.13 119.95 31.67 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -92.24 -16.72 25.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -165.49 157.6 15.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.511 HG21 ' HE3' ' A' ' 70' ' ' MET . 4.8 mm -76.6 -61.34 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.737 HD13 ' HA3' ' A' ' 72' ' ' GLY . 21.2 mt -97.56 156.97 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.6 t30 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.532 ' CG ' ' SD ' ' A' ' 70' ' ' MET . 48.0 p90 -160.93 130.63 4.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.9 m -86.93 156.24 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.557 ' CZ3' HD23 ' A' ' 31' ' ' LEU . 6.5 p-90 -163.41 163.88 24.81 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.3 m -151.41 159.79 44.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.026 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -112.9 132.14 55.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.336 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -113.94 177.87 4.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -43.72 -41.75 5.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.449 ' O ' HG23 ' A' ' 29' ' ' THR . 3.4 t -162.84 69.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 110.44 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 165.69 158.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.557 HD23 ' CZ3' ' A' ' 24' ' ' TRP . 1.0 OUTLIER -125.45 159.23 32.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -146.74 104.77 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.65 116.57 52.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 28.8 mtm180 -106.55 123.61 48.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.097 . . . . 0.0 110.271 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.591 HG21 HG11 ' A' ' 58' ' ' VAL . 95.1 t -104.38 133.12 20.37 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.94 137.12 21.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.565 ' CG1' HG23 ' A' ' 93' ' ' VAL . 32.9 m -122.78 158.78 55.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.5 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.97 179.11 6.39 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -86.91 12.9 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.5 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 5.3 p-80 -114.77 -3.72 12.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.589 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.458 HG23 ' HG2' ' A' ' 38' ' ' PRO . 16.3 t -102.07 109.81 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.515 HG12 ' CB ' ' A' ' 89' ' ' PRO . 15.8 m -130.04 -41.51 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.48 144.85 37.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.38 -2.73 84.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.156 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -15.91 28.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.755 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -83.18 7.92 14.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -140.65 140.31 33.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 m -106.44 139.33 41.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.624 HG21 ' CD2' ' A' ' 85' ' ' TRP . 78.9 t -138.96 119.97 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -113.32 120.12 40.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 51' ' ' LEU . 23.2 mt -119.07 124.2 46.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.701 ' O ' HG21 ' A' ' 80' ' ' THR . 17.1 m -128.38 -58.84 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.1 t 172.25 -59.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.003 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.0 p -114.7 31.43 6.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.969 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.28 145.02 22.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 1.01 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -142.83 151.59 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 1.01 ' N ' HD13 ' A' ' 56' ' ' ILE . 8.5 ttt180 -140.01 134.35 31.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.675 HG23 ' CD1' ' A' ' 56' ' ' ILE . 21.2 t -139.07 98.15 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 47' ' ' VAL . . . -122.97 151.45 41.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.577 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -128.79 145.12 51.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.405 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 11.8 mt -78.26 128.64 34.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 64' ' ' ASN . 6.8 mm-40 -106.97 38.22 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 66.42 -73.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 62' ' ' GLU . 3.3 m-20 -64.09 -32.02 73.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.85 -131.35 1.21 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.405 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -158.31 172.86 17.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 110.302 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -149.03 142.78 25.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.8 t -87.54 98.83 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.577 HD21 ' HG2' ' A' ' 60' ' ' MET . 37.2 mt -62.48 -54.62 37.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.532 ' SD ' ' CG ' ' A' ' 22' ' ' TYR . 20.5 ttt -139.15 133.57 31.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.443 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 9.5 tm-20 -162.73 152.08 15.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.443 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 151.49 159.28 8.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.23 112.77 14.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.774 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 108' ' ' ILE . 8.9 mt -48.42 172.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 108' ' ' ILE . 81.0 p -88.07 -38.96 15.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 105' ' ' TRP . 17.8 m80 -126.1 176.42 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.625 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -90.52 166.24 13.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.498 ' HA ' HG13 ' A' ' 100' ' ' VAL . 1.8 pp -140.48 -172.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 83' ' ' SER . 7.5 t-20 -111.79 79.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.701 HG21 ' O ' ' A' ' 52' ' ' SER . 80.2 p -47.55 -23.33 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.437 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -73.0 -41.9 63.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.46 ' N ' ' HG3' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -94.25 -9.54 35.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.966 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' ASN . 3.8 m -82.27 149.76 27.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.015 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -145.72 179.78 7.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.768 ' HB2' HG22 ' A' ' 95' ' ' VAL . 7.6 p-90 -164.79 129.25 2.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 107.976 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.99 153.4 33.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.831 HD22 ' N ' ' A' ' 88' ' ' GLU . 1.1 tm? -114.0 139.02 49.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.153 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.831 ' N ' HD22 ' A' ' 87' ' ' LEU . 3.3 mm-40 -119.44 132.73 23.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.515 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.96 124.5 8.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.15 44.74 88.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -146.04 -101.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -162.87 166.54 23.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 108.284 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.766 HG22 HD23 ' A' ' 87' ' ' LEU . 88.0 t -92.36 142.6 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.788 HD13 ' N ' ' A' ' 95' ' ' VAL . 0.9 OUTLIER -113.91 131.94 56.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.788 ' N ' HD13 ' A' ' 94' ' ' LEU . 71.0 t -135.32 106.44 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -88.54 125.99 35.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 15.6 mt -112.73 116.56 30.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 m -92.19 109.24 20.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.484 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 28.9 mttt -55.21 145.35 21.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.498 HG13 ' HA ' ' A' ' 78' ' ' ILE . 30.2 m -91.25 42.44 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 128.52 -178.82 16.96 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.44 94.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.286 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -128.33 155.69 44.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -107.68 112.79 25.66 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.549 ' CZ2' ' HB2' ' A' ' 76' ' ' HIS . 14.3 m95 -95.6 126.99 41.26 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -107.31 -9.95 15.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -171.03 163.8 7.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.552 HD11 ' CE3' ' A' ' 24' ' ' TRP . 3.3 mm -88.42 -59.38 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.425 HD22 ' C ' ' A' ' 72' ' ' GLY . 69.8 mt -101.26 167.12 10.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.306 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 34.0 p90 -156.86 135.17 11.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 85.1 m -86.58 159.26 19.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.364 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.523 ' CD2' HG12 ' A' ' 108' ' ' ILE . 4.3 p-90 -162.67 161.34 26.46 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.99 175.63 12.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.014 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.92 108.1 4.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -133.08 142.79 48.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 60.85 -78.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.4 t -176.26 53.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.0 p30 -152.47 174.47 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.561 HD21 ' CG ' ' A' ' 105' ' ' TRP . 0.4 OUTLIER -132.14 115.17 15.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.61 101.97 10.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -109.15 116.36 51.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.5 mtt180 -106.48 131.06 54.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 48.1 t -113.19 131.55 22.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.0 Cg_endo -75.04 142.66 28.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.523 1.801 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.489 HG11 HG23 ' A' ' 93' ' ' VAL . 28.0 m -127.65 158.67 69.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.622 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.0 177.27 8.81 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -86.11 12.52 9.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.622 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 8.0 p-80 -113.63 -3.59 13.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.62 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.46 HG23 ' HG2' ' A' ' 38' ' ' PRO . 21.2 t -103.27 110.38 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.517 HG12 ' CB ' ' A' ' 89' ' ' PRO . 16.5 m -129.79 -41.34 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -79.35 147.15 32.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.44 -16.18 80.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.83 -13.77 59.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' LEU . 2.4 mt-30 -80.64 -15.77 55.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -124.17 143.42 37.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.1 m -105.49 137.58 43.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.045 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.885 HG21 ' CD2' ' A' ' 85' ' ' TRP . 47.3 t -133.85 103.99 5.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.26 112.65 25.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.412 ' HB3' HG22 ' A' ' 80' ' ' THR . 61.0 mt -112.3 136.58 51.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.592 ' O ' HG21 ' A' ' 80' ' ' THR . 24.7 m -127.52 -70.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.032 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 77' ' ' LYS . 95.1 p 179.3 -48.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 74' ' ' LEU . 5.4 p -119.68 31.51 6.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.6 t -162.1 173.84 13.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.017 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 1.015 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -165.06 156.47 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 1.015 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -138.54 130.57 28.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.662 HG23 ' CD1' ' A' ' 56' ' ' ILE . 19.8 t -136.53 97.42 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.486 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -120.95 159.19 26.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.613 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -139.11 143.94 38.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 12.6 mt -76.55 132.71 39.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -97.59 -68.04 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.16 -69.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -90.47 -8.01 51.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.93 -136.07 1.94 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.474 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -157.24 -177.49 6.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 0.78 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 1.9 ttt180 -148.68 143.0 26.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.258 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.4 t -91.48 97.26 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.613 HD21 ' HG2' ' A' ' 60' ' ' MET . 51.4 mt -57.14 -60.11 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.534 ' HE1' HG21 ' A' ' 108' ' ' ILE . 25.4 ttt -132.09 144.72 50.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 14.2 tm-20 -175.77 148.61 0.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.552 ' O ' HD22 ' A' ' 109' ' ' LEU . . . 149.6 153.49 6.07 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -68.47 125.25 25.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 0.813 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.6 HD23 HD23 ' A' ' 109' ' ' LEU . 9.2 mt -64.92 174.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.7 p -83.13 -35.51 25.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.433 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.449 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 5.2 m-70 -132.67 176.7 8.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.576 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 53' ' ' SER . 16.3 mttp -87.41 159.98 18.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.467 HG23 ' CZ2' ' A' ' 105' ' ' TRP . 2.1 pp -136.56 176.69 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.705 ' CG ' HG12 ' A' ' 100' ' ' VAL . 40.3 m-20 -104.03 82.5 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.592 HG21 ' O ' ' A' ' 52' ' ' SER . 2.4 p -46.98 -27.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -71.11 -50.79 29.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.71 -19.73 58.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.9 m -78.86 161.23 26.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -150.78 179.63 8.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.885 ' CD2' HG21 ' A' ' 49' ' ' VAL . 2.6 p-90 -164.6 130.74 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.32 135.16 50.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.858 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -97.08 140.78 31.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.858 ' H ' HD22 ' A' ' 87' ' ' LEU . 15.2 mt-10 -120.14 133.4 23.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.517 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.93 124.3 8.56 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.94 46.68 83.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -148.61 -101.36 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -161.92 173.54 14.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 108.3 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.743 HG22 HD23 ' A' ' 87' ' ' LEU . 36.6 t -100.83 135.91 34.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.518 HD13 ' N ' ' A' ' 95' ' ' VAL . 2.2 tm? -105.46 132.38 51.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.612 HG22 ' HB2' ' A' ' 85' ' ' TRP . 72.9 t -137.36 119.31 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.511 ' ND2' HD11 ' A' ' 94' ' ' LEU . 4.4 m-80 -102.83 132.47 49.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.458 HD22 HD13 ' A' ' 78' ' ' ILE . 19.9 mt -120.4 118.05 29.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.83 109.54 22.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.957 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -55.27 141.55 35.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.705 HG12 ' CG ' ' A' ' 79' ' ' ASN . 35.1 m -92.21 41.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.31 175.24 13.81 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.137 . . . . 0.0 110.957 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -69.54 94.26 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 0.738 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -129.07 155.95 44.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.466 ' CG ' ' O ' ' A' ' 104' ' ' TRP . 13.7 p90 -111.98 93.01 4.24 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.561 ' CG ' HD21 ' A' ' 31' ' ' LEU . 10.6 m95 -73.27 84.88 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.025 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -58.7 -17.21 20.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -164.58 161.22 20.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.534 HG21 ' HE1' ' A' ' 70' ' ' MET . 15.2 mm -74.87 -60.58 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.6 HD23 HD23 ' A' ' 74' ' ' LEU . 34.5 mt -103.62 175.15 5.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 110.261 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.1 t30 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.533 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 42.8 p90 -159.45 129.46 5.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 p -86.49 157.96 19.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 110.433 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.526 ' CE2' HG12 ' A' ' 108' ' ' ILE . 8.0 p-90 -163.81 165.98 22.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 108.017 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.5 p -149.12 156.03 41.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.402 ' HB3' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -108.27 127.47 53.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.265 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -114.86 170.18 8.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -38.16 -33.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 29' ' ' THR . 7.7 t -172.32 73.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.371 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 t70 170.86 154.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.444 HD23 ' CZ3' ' A' ' 24' ' ' TRP . 2.4 mp -129.14 114.68 16.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.11 107.57 18.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.137 . . . . 0.0 110.259 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.15 134.38 54.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.16 131.21 53.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.544 HG12 HD13 ' A' ' 69' ' ' LEU . 92.1 t -110.78 130.41 22.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 138.4 22.97 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.53 1.805 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.405 ' HB ' ' HD2' ' A' ' 38' ' ' PRO . 32.6 m -121.41 159.65 49.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.591 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.05 -178.86 4.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.73 10.27 21.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.591 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 3.6 p-80 -108.38 -5.57 16.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.575 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.541 HG23 ' CD2' ' A' ' 40' ' ' HIS . 10.0 t -101.08 99.71 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.548 HG12 ' CB ' ' A' ' 89' ' ' PRO . 27.5 m -142.94 16.63 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.85 -87.83 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 154.63 -33.77 0.69 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.7 pttt -76.65 -11.8 59.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 0.794 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 61' ' ' LEU . 22.6 mt-30 -76.4 -26.63 55.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -109.98 141.29 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -112.85 153.87 27.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.938 HG21 ' CD2' ' A' ' 85' ' ' TRP . 65.7 t -140.97 131.85 27.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.654 ' HB3' ' CB ' ' A' ' 57' ' ' ARG . . . -127.42 110.75 13.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.2 mt -114.45 123.17 48.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.733 ' O ' HG21 ' A' ' 80' ' ' THR . 7.5 m -119.04 -65.97 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 52' ' ' SER . 29.1 t 174.16 -55.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.0 p -114.94 26.31 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.027 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.2 t -155.11 175.06 14.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.811 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -164.75 155.68 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.811 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -143.33 132.06 22.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.749 HG23 HD11 ' A' ' 56' ' ' ILE . 78.5 t -138.07 131.03 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 47' ' ' VAL . . . -151.1 164.01 37.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.541 ' HE1' ' CE1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -147.37 139.16 24.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.991 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.484 ' O ' ' CE ' ' A' ' 60' ' ' MET . 12.8 mt -73.23 129.21 37.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -95.61 -67.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.01 -72.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.33 -8.69 57.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.91 -135.53 1.83 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.468 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -154.74 -173.21 4.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.291 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 6.3 ttt180 -152.91 139.62 18.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 58' ' ' VAL . 81.9 t -89.53 96.99 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.544 HD13 HG12 ' A' ' 35' ' ' VAL . 28.7 mt -59.35 -50.92 72.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' VAL . 25.8 ttt -139.62 143.76 37.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' A' ' 72' ' ' GLY . 0.0 OUTLIER -175.75 152.41 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.28 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.438 ' N ' ' OE1' ' A' ' 71' ' ' GLU . . . 140.11 157.53 7.27 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.563 1.164 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.74 138.98 55.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.793 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.531 HD23 HD23 ' A' ' 109' ' ' LEU . 14.7 mt -78.75 176.22 9.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.0 p -83.82 -33.05 25.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.393 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 103' ' ' TYR . 68.9 m-70 -137.59 -173.35 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.585 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 53' ' ' SER . 9.8 mttt -90.2 169.61 10.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.4 pp -148.9 159.83 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -86.42 83.65 7.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.733 HG21 ' O ' ' A' ' 52' ' ' SER . 16.9 p -51.2 -21.05 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -76.02 -41.22 51.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.324 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.64 -10.82 41.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 14.9 m -89.02 120.59 30.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.517 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.9 OUTLIER -114.86 179.47 3.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 1.003 ' HB2' HG22 ' A' ' 95' ' ' VAL . 1.6 p-90 -159.75 126.97 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 108.019 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.9 m -119.99 149.32 42.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.894 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER -106.03 141.95 36.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.894 ' H ' HD22 ' A' ' 87' ' ' LEU . 2.4 mt-10 -123.46 134.22 25.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.548 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -74.98 120.23 5.99 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.6 47.21 78.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -144.21 -102.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.4 p -163.86 167.89 20.18 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.12 . . . . 0.0 108.301 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 35' ' ' VAL . 43.0 t -94.42 130.23 43.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.595 HD11 HD21 ' A' ' 96' ' ' ASN . 2.6 tm? -106.9 129.37 54.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 1.003 HG22 ' HB2' ' A' ' 85' ' ' TRP . 64.6 t -135.97 129.23 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.595 HD21 HD11 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -101.11 113.49 26.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.6 mt -101.65 115.13 29.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.3 146.34 27.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -83.19 134.33 34.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 100' ' ' VAL . 16.5 t -115.99 92.99 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.58 150.4 10.2 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.442 1.089 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.21 93.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.317 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.567 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 30.6 m-85 -129.3 156.03 44.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.502 ' O ' ' CD2' ' A' ' 76' ' ' HIS . 1.2 t-105 -88.84 116.36 27.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 108.027 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.452 ' O ' ' CB ' ' A' ' 106' ' ' ASN . 11.7 m95 -91.55 -75.26 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 108.009 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 105' ' ' TRP . 1.5 t-20 78.4 -52.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.349 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -128.93 161.29 30.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.526 HG12 ' CE2' ' A' ' 24' ' ' TRP . 10.1 mm -77.91 -58.83 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.531 HD23 HD23 ' A' ' 74' ' ' LEU . 64.6 mt -102.69 160.98 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 21' ' ' ASN . 2.1 p30 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.549 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 38.3 p90 -138.93 129.86 26.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.3 p -89.01 149.8 23.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.364 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.699 ' CE3' HD11 ' A' ' 108' ' ' ILE . 19.1 p-90 -154.8 163.77 39.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 107.992 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.4 p -153.97 160.19 41.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.972 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -108.27 125.59 51.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -105.36 -178.63 3.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -38.4 -58.1 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.1 t -151.59 70.49 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 165.54 150.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.13 155.33 18.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -142.51 107.54 4.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -121.35 120.11 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -108.45 123.25 48.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.506 HG21 HG11 ' A' ' 58' ' ' VAL . 48.0 t -101.38 129.52 26.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 136.71 20.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.776 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.4 m -121.46 158.97 52.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.535 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.96 175.94 10.56 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.462 1.77 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -83.56 7.76 16.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.535 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 2.8 p-80 -106.39 -4.69 19.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.622 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.468 HG23 ' CD2' ' A' ' 40' ' ' HIS . 25.5 t -102.45 109.27 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.549 HG12 ' CB ' ' A' ' 89' ' ' PRO . 30.0 m -137.27 19.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -142.85 146.63 34.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.441 ' O ' HG23 ' A' ' 47' ' ' VAL . . . -70.47 -25.83 75.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.19 -14.73 61.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -81.74 5.01 19.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.234 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 44' ' ' GLY . 0.1 OUTLIER -139.93 169.11 16.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.437 ' OG ' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -129.13 126.25 38.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.841 HG21 ' CD2' ' A' ' 85' ' ' TRP . 54.1 t -126.13 131.6 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -129.13 110.91 12.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.9 mt -111.66 128.12 55.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.524 ' O ' HG21 ' A' ' 80' ' ' THR . 0.6 OUTLIER -132.92 -59.79 0.88 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 52' ' ' SER . 14.6 t 170.78 -45.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.39 38.46 3.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.996 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.94 153.08 32.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.659 HD11 HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -149.85 142.83 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -143.93 122.88 12.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.659 HG23 HD11 ' A' ' 56' ' ' ILE . 49.0 t -132.41 96.94 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.46 ' HB2' HG22 ' A' ' 68' ' ' VAL . . . -124.21 129.79 51.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.522 ' HG2' HD11 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -103.26 143.48 32.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.5 ' O ' ' CE ' ' A' ' 60' ' ' MET . 8.4 mt -71.68 139.54 49.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -105.64 -173.17 2.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -68.77 -38.24 79.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -134.63 54.68 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 142.12 -141.16 10.61 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.12 169.55 22.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 33.4 ttp180 -139.11 141.19 38.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.46 HG22 ' HB2' ' A' ' 59' ' ' ALA . 94.0 t -94.43 97.11 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.522 HD11 ' HG2' ' A' ' 60' ' ' MET . 22.8 mt -64.05 -50.71 67.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.674 ' HE3' HG21 ' A' ' 108' ' ' ILE . 27.7 ttt -141.33 145.58 35.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 11.6 tm-20 -177.55 151.32 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.484 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 147.63 148.96 4.86 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.76 115.18 7.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.454 HD23 HD23 ' A' ' 109' ' ' LEU . 47.4 mt -52.46 174.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.465 ' CG2' ' O ' ' A' ' 107' ' ' ALA . 44.4 p -93.05 -37.69 12.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.448 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.418 ' NE2' ' HB3' ' A' ' 104' ' ' TRP . 0.3 OUTLIER -119.63 174.42 6.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -91.84 159.15 15.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.497 ' CG2' ' CZ2' ' A' ' 105' ' ' TRP . 2.2 pp -139.77 157.2 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.416 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 3.4 t-20 -88.41 81.41 7.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.524 HG21 ' O ' ' A' ' 52' ' ' SER . 52.4 p -40.33 -39.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.399 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -51.91 -57.83 8.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.09 -29.91 68.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.048 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.5 m -66.67 162.46 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.511 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -151.67 178.65 9.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.841 ' CD2' HG21 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -164.97 125.54 1.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.412 ' O ' HG13 ' A' ' 93' ' ' VAL . 75.2 m -128.06 162.71 26.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.915 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.7 OUTLIER -119.35 144.94 46.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.915 ' H ' HD22 ' A' ' 87' ' ' LEU . 3.3 mm-40 -127.32 135.8 27.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.549 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.0 118.72 5.37 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.766 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.2 51.66 54.49 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -150.12 -102.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.336 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.2 p -164.03 175.42 10.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 108.289 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 86' ' ' SER . 45.9 t -102.54 130.69 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.598 HD11 ' ND2' ' A' ' 96' ' ' ASN . 2.5 tm? -96.9 129.32 44.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.545 ' N ' HD13 ' A' ' 94' ' ' LEU . 86.8 t -137.9 136.54 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.598 ' ND2' HD11 ' A' ' 94' ' ' LEU . 3.6 m-80 -126.82 112.22 15.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.439 ' HB3' HG21 ' A' ' 78' ' ' ILE . 17.6 mt -92.51 118.32 30.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.416 ' CB ' ' HB3' ' A' ' 79' ' ' ASN . 24.7 t -70.5 138.85 51.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.603 ' HB3' ' CD1' ' A' ' 103' ' ' TYR . 2.0 mmtp -84.19 145.48 28.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.486 HG13 ' HA ' ' A' ' 78' ' ' ILE . 1.7 m -132.27 144.05 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.369 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.656 ' O ' ' CD1' ' A' ' 103' ' ' TYR . . . 36.81 -138.14 0.47 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.51 1.131 . . . . 0.0 111.031 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -68.66 102.38 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.656 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 4.4 m-30 -67.0 93.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.418 ' HB3' ' NE2' ' A' ' 76' ' ' HIS . 9.7 t-105 -117.04 92.66 3.92 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.505 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 60.0 m95 -123.5 119.58 30.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.476 ' O ' ' HB2' ' A' ' 107' ' ' ALA . 12.3 m-20 -127.61 6.14 6.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 106' ' ' ASN . . . 176.67 106.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.699 HD11 ' CE3' ' A' ' 24' ' ' TRP . 5.5 mm -37.08 -50.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.484 HD13 ' HA3' ' A' ' 72' ' ' GLY . 41.6 mt -115.87 152.46 33.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 41.4 p90 -147.4 126.11 12.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 p -94.76 157.01 16.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.438 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.796 ' CE3' HD11 ' A' ' 108' ' ' ILE . 11.3 p-90 -153.13 163.1 40.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.006 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.2 m -150.16 161.08 43.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -113.34 130.8 56.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.4 178.33 4.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -38.21 -55.0 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.26 75.83 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.43 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 164.93 149.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.478 ' CD2' ' CE3' ' A' ' 105' ' ' TRP . 2.2 mp -112.11 134.92 53.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -122.98 104.55 9.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.68 122.83 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.13 131.91 56.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.453 HG21 HG11 ' A' ' 58' ' ' VAL . 21.6 t -110.97 134.68 20.94 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.1 Cg_endo -75.07 140.92 25.84 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.559 HG11 HG23 ' A' ' 93' ' ' VAL . 30.7 m -128.12 158.17 71.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.568 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.0 177.97 7.89 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -85.55 11.15 11.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.568 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 4.2 p-80 -111.05 -4.61 15.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.584 1.178 . . . . 0.0 109.62 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.425 HG23 ' HG2' ' A' ' 38' ' ' PRO . 15.6 t -100.08 108.74 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.526 HG12 ' CB ' ' A' ' 89' ' ' PRO . 16.2 m -130.2 -40.69 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -85.84 130.58 34.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.88 -17.03 53.89 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -74.34 -6.74 49.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -92.39 -15.49 27.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -118.36 135.49 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.9 m -96.32 140.09 31.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.025 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.997 HG21 ' CD2' ' A' ' 85' ' ' TRP . 44.8 t -139.79 127.06 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -127.34 111.89 14.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -112.85 127.07 56.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.267 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.633 ' O ' HG21 ' A' ' 80' ' ' THR . 70.1 m -128.92 -63.01 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 52' ' ' SER . 68.9 p 175.27 -52.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 100.0 p -121.04 33.45 5.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.38 152.67 27.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.969 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.998 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -149.34 150.27 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.998 ' N ' HD13 ' A' ' 56' ' ' ILE . 15.4 ttt180 -138.99 130.68 27.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.6 HG23 ' CD1' ' A' ' 56' ' ' ILE . 6.8 t -139.93 97.27 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 67' ' ' ARG . . . -127.84 142.93 51.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.553 ' HG2' HD21 ' A' ' 69' ' ' LEU . 1.9 ptm -114.36 137.55 51.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 mt -67.31 140.1 57.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -104.81 -174.63 2.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -72.48 -21.71 61.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -147.6 51.19 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 142.37 -134.97 6.35 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.13 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -157.15 -179.21 7.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -155.52 147.67 23.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.7 t -92.75 113.19 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.553 HD21 ' HG2' ' A' ' 60' ' ' MET . 77.3 mt -73.37 -51.39 17.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.592 ' SD ' ' CD1' ' A' ' 22' ' ' TYR . 12.7 ttt -125.1 -93.24 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.468 ' N ' ' HG2' ' A' ' 70' ' ' MET . 3.6 tt0 59.58 146.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.859 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 150.11 149.08 4.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.577 1.173 . . . . 0.0 111.019 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -68.55 124.35 23.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 108' ' ' ILE . 16.7 mt -66.13 157.1 32.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.0 p -73.64 -38.66 64.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -126.51 -176.85 3.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.58 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -90.17 168.96 11.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.4 pp -147.96 164.13 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 80' ' ' THR . 5.1 t-20 -95.11 79.68 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.633 HG21 ' O ' ' A' ' 52' ' ' SER . 69.5 p -37.87 -49.9 1.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 110.384 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -47.28 -53.82 12.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -31.64 67.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 14.5 m -76.46 157.56 32.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 1.4 pp -155.04 179.23 9.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.997 ' CD2' HG21 ' A' ' 49' ' ' VAL . 5.3 p-90 -151.02 121.87 7.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.01 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.9 m -117.89 126.53 52.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.949 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.83 HD22 ' H ' ' A' ' 88' ' ' GLU . 1.2 tm? -91.63 143.57 26.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.83 ' H ' HD22 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -124.67 135.37 26.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.526 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.94 123.06 7.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.551 1.816 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.58 59.78 9.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -161.01 -97.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -164.03 177.67 8.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 108.281 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.629 HG22 HD23 ' A' ' 87' ' ' LEU . 17.1 t -105.12 132.29 52.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.5 HD13 ' N ' ' A' ' 95' ' ' VAL . 2.6 tm? -101.35 134.74 43.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.532 HG22 ' HB2' ' A' ' 85' ' ' TRP . 63.4 t -139.95 108.18 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.485 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 15.1 m120 -95.3 107.53 19.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.9 mt -96.58 131.87 42.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.15 157.26 18.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.023 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -90.64 137.68 32.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 24.3 t -125.6 90.95 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.54 152.48 23.34 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 94.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 0.797 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -128.94 155.93 44.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -98.38 103.8 15.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 107.959 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.478 ' CE3' ' CD2' ' A' ' 31' ' ' LEU . 20.3 m95 -80.28 94.14 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -83.26 -7.6 59.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -174.35 174.85 2.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.796 HD11 ' CE3' ' A' ' 24' ' ' TRP . 22.3 mm -87.25 -58.21 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.859 HD13 ' HA3' ' A' ' 72' ' ' GLY . 24.8 mt -100.09 164.16 12.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.264 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.1 t30 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 43.7 p90 -152.05 129.11 11.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 p -86.57 150.57 24.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.535 ' CE3' HD11 ' A' ' 108' ' ' ILE . 7.9 p-90 -155.45 160.7 40.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.6 m -147.6 161.6 40.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -108.36 136.29 48.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -126.84 170.15 12.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -37.47 -56.55 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.636 ' O ' HG23 ' A' ' 29' ' ' THR . 10.0 t -150.63 74.4 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.413 ' CB ' ' O ' ' A' ' 29' ' ' THR . 0.3 OUTLIER 162.36 159.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.63 HD21 ' HB3' ' A' ' 105' ' ' TRP . 3.4 mp -125.45 141.4 52.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.03 105.93 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.251 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -116.23 127.26 73.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 16.4 mtp180 -117.24 131.13 56.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.425 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 17.8 t -111.35 130.39 23.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.02 140.88 25.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.8 m -126.7 158.26 68.54 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.535 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.1 Cg_endo -74.97 176.65 9.62 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.444 1.76 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -85.72 11.75 10.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.535 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 3.5 p-80 -110.58 -5.55 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.644 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.49 HG23 ' HG2' ' A' ' 38' ' ' PRO . 42.1 t -102.59 115.16 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.582 HG12 ' CB ' ' A' ' 89' ' ' PRO . 17.9 m -135.71 -41.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -77.22 138.38 39.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.88 -14.05 57.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -83.11 -12.89 56.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 0.729 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -79.52 -6.43 56.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -135.43 151.17 29.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -114.44 147.79 38.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.981 HG21 ' CD2' ' A' ' 85' ' ' TRP . 44.1 t -140.13 109.35 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.667 ' HB3' ' HB3' ' A' ' 57' ' ' ARG . . . -106.93 108.3 19.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.9 mt -110.79 134.77 52.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.541 ' O ' HG21 ' A' ' 80' ' ' THR . 63.6 m -132.23 -66.3 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.99 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.46 ' HA ' HG13 ' A' ' 78' ' ' ILE . 78.5 p 177.04 -39.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.472 ' CB ' ' HD2' ' A' ' 77' ' ' LYS . 5.6 t -137.81 41.17 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.02 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.73 135.32 2.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.5 tt -124.78 152.97 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.667 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 10.2 ttt180 -143.99 110.32 5.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.8 t -120.83 105.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' A' ' 47' ' ' VAL . . . -126.52 144.81 50.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.589 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -121.37 137.02 54.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.47 ' O ' ' CE ' ' A' ' 60' ' ' MET . 9.2 mt -68.26 134.95 51.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -100.39 -173.67 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -69.65 -31.28 69.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -140.93 53.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 142.44 -138.28 8.35 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.03 169.79 22.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.787 . . . . 0.0 110.301 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.26 145.55 32.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.5 t -93.4 96.28 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.589 HD21 ' HG2' ' A' ' 60' ' ' MET . 45.3 mt -57.54 -58.54 7.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.476 ' SD ' ' CG ' ' A' ' 22' ' ' TYR . 25.6 ttt -135.06 136.41 42.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.456 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 11.8 tm-20 -169.61 141.62 2.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.336 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.574 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 157.2 154.48 7.08 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 123.56 18.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 54' ' ' SER . 18.8 mt -60.52 -171.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 108' ' ' ILE . 52.6 p -81.86 -35.57 29.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.484 ' CG ' ' O ' ' A' ' 75' ' ' THR . 34.1 m80 -163.36 -173.08 3.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.597 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.503 ' N ' ' HD3' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -69.44 165.28 21.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.555 ' HA ' HG13 ' A' ' 100' ' ' VAL . 2.1 pp -152.94 -172.75 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -107.11 84.93 2.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.541 HG21 ' O ' ' A' ' 52' ' ' SER . 2.6 p -49.92 -47.06 52.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.418 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -50.21 -55.19 16.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.268 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.47 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 12.9 t -66.32 -33.94 76.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.949 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 70.6 m -68.57 124.57 23.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.991 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.458 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -110.15 178.2 4.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.981 ' CD2' HG21 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -165.07 120.5 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 107.997 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.8 m -127.04 133.08 50.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.908 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -92.11 144.49 25.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.908 ' H ' HD22 ' A' ' 87' ' ' LEU . 1.8 mt-10 -122.82 134.87 25.25 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.582 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.5 Cg_endo -74.96 124.3 8.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.2 46.52 62.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.525 1.141 . . . . 0.0 111.049 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -145.61 -103.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -163.95 175.99 9.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 108.291 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.425 HG22 HD23 ' A' ' 87' ' ' LEU . 91.9 t -101.63 138.21 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.833 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.1 tm? -112.78 132.22 55.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.833 ' N ' HD13 ' A' ' 94' ' ' LEU . 54.4 t -138.88 143.35 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.441 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 2.6 m-80 -125.93 126.08 43.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.435 HD23 ' C ' ' A' ' 96' ' ' ASN . 7.8 mt -107.5 117.14 33.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 82' ' ' SER . 15.9 t -90.41 123.37 34.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.566 ' HD3' ' CD1' ' A' ' 105' ' ' TRP . 0.9 OUTLIER -72.42 129.93 39.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.555 HG13 ' HA ' ' A' ' 78' ' ' ILE . 16.8 m -87.57 47.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 144.79 -138.13 7.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.46 94.14 3.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.293 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -128.72 156.02 44.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 28.6 p90 -94.62 111.37 23.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 107.988 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.63 ' HB3' HD21 ' A' ' 31' ' ' LEU . 21.8 m95 -96.38 81.05 3.23 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -78.37 0.02 27.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.685 ' O ' HG21 ' A' ' 75' ' ' THR . . . -166.38 170.94 12.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.746 ' O ' HG23 ' A' ' 75' ' ' THR . 5.3 mm -98.08 -53.93 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.574 HD13 ' HA3' ' A' ' 72' ' ' GLY . 50.1 mt -103.77 156.29 17.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.586 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 29.8 t30 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.586 ' CD2' ' HB3' ' A' ' 21' ' ' ASN . 18.3 p90 173.66 131.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.09 142.28 28.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.48 ' CE3' HD11 ' A' ' 108' ' ' ILE . 14.4 p-90 -145.27 160.19 41.87 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 92.3 p -153.91 177.79 10.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.993 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.7 116.95 6.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -132.82 132.39 42.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.441 ' O ' ' HB ' ' A' ' 29' ' ' THR . 0.2 OUTLIER 67.75 -66.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER 175.45 62.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 110.392 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -157.98 -179.24 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.56 HD22 ' CE3' ' A' ' 105' ' ' TRP . 1.1 mp -136.73 101.15 4.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.76 104.79 16.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -117.48 123.07 71.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 3.3 mtm180 -114.93 128.76 56.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.586 HG21 HG11 ' A' ' 58' ' ' VAL . 57.3 t -102.85 130.87 22.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 136.67 20.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.4 m -120.87 159.07 50.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.0 177.3 8.78 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.798 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.41 11.59 10.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.464 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 3.2 p-80 -112.42 -3.59 14.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.55 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.438 HG23 ' HG2' ' A' ' 38' ' ' PRO . 15.6 t -101.93 108.96 24.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.595 HG12 ' CB ' ' A' ' 89' ' ' PRO . 15.4 m -132.45 -41.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -76.39 143.11 40.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.34 2.56 61.63 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -94.31 -12.53 27.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -94.2 24.74 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.562 HG21 ' HG ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -151.07 138.96 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.64 131.15 56.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.758 HG21 ' CE3' ' A' ' 85' ' ' TRP . 45.8 t -126.3 138.02 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.403 ' HB3' ' CB ' ' A' ' 57' ' ' ARG . . . -128.14 114.89 17.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.3 mt -116.96 122.31 43.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.688 ' O ' HG21 ' A' ' 80' ' ' THR . 13.8 m -125.95 -63.0 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.971 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 52' ' ' SER . 19.4 t 172.69 -51.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 74' ' ' LEU . 0.1 OUTLIER -119.85 27.66 8.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 110.027 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.14 153.24 32.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.99 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 1.012 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -148.14 151.8 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 1.012 ' N ' HD13 ' A' ' 56' ' ' ILE . 9.1 ttt180 -139.08 134.59 33.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.677 HG23 ' CD1' ' A' ' 56' ' ' ILE . 20.0 t -139.33 103.32 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -127.24 163.54 23.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.578 ' HG2' HD21 ' A' ' 69' ' ' LEU . 1.4 ptm -142.32 136.5 29.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.411 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 15.2 mt -72.61 130.28 40.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -95.33 -69.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -165.9 -66.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -89.11 -11.95 42.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.11 -133.96 1.59 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.411 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -157.77 178.51 10.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 110.31 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -142.62 141.11 31.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 91.0 t -91.43 99.39 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.578 HD21 ' HG2' ' A' ' 60' ' ' MET . 31.0 mt -61.88 -53.02 61.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 58' ' ' VAL . 19.2 ttt -141.8 140.96 33.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.451 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 14.5 tm-20 -170.68 150.16 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.518 ' C ' HD22 ' A' ' 109' ' ' LEU . . . 151.36 155.67 7.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -69.57 123.05 20.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 54' ' ' SER . 15.7 mt -61.35 166.94 3.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 108' ' ' ILE . 62.6 p -78.06 -42.37 32.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 38.4 m80 -130.15 169.56 15.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.567 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -77.72 166.65 22.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.471 ' C ' HG13 ' A' ' 100' ' ' VAL . 1.9 pp -142.41 -175.69 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.62 ' CG ' HG12 ' A' ' 100' ' ' VAL . 22.1 m-20 -109.98 77.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.688 HG21 ' O ' ' A' ' 52' ' ' SER . 73.6 p -38.59 -39.09 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.354 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -57.72 -53.92 52.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 61.0 m -72.86 -19.48 61.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 110.038 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.6 m -83.81 139.74 32.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 1.0 OUTLIER -127.38 179.33 5.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.329 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.758 ' CE3' HG21 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -160.75 126.09 3.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 108.033 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.93 158.87 40.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.859 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -115.81 141.96 47.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.859 ' H ' HD22 ' A' ' 87' ' ' LEU . 1.8 mt-10 -123.18 134.78 25.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.595 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.96 122.12 7.02 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.32 46.34 72.23 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.475 1.11 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.21 -103.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -163.61 174.75 11.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 108.276 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' VAL . 91.1 t -99.74 128.9 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.623 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.9 tm? -97.62 138.43 35.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.623 ' N ' HD13 ' A' ' 94' ' ' LEU . 92.3 t -146.6 127.28 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.605 HD21 HD11 ' A' ' 94' ' ' LEU . 2.6 m-80 -111.04 125.05 53.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.417 HD22 HD13 ' A' ' 78' ' ' ILE . 25.3 mt -112.87 111.8 22.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.61 102.48 14.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -49.95 146.6 4.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.62 HG12 ' CG ' ' A' ' 79' ' ' ASN . 16.0 m -90.06 44.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.53 -137.83 7.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.22 94.49 4.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 0.737 . . . . 0.0 110.26 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -128.36 155.71 44.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 19.4 t-105 -98.42 104.06 16.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 108.021 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.56 ' CE3' HD22 ' A' ' 31' ' ' LEU . 8.8 m95 -82.28 98.4 8.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 108.017 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -69.9 -16.11 63.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -168.31 171.85 8.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.586 ' O ' HG23 ' A' ' 75' ' ' THR . 20.0 mm -85.33 -60.26 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.518 HD22 ' C ' ' A' ' 72' ' ' GLY . 49.3 mt -100.73 175.16 5.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.935 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 p -55.52 125.24 20.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 0.733 . . . . 0.0 109.963 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -153.11 100.96 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.08 -162.25 12.46 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.01 116.47 4.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.757 . . . . 0.0 109.98 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 m -124.54 161.91 25.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.48 -137.75 9.89 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.87 88.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.782 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.9 -33.93 15.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.23 152.92 0.7 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -50.27 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -149.62 -52.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.391 1.057 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 t -73.54 118.44 16.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -57.73 91.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 59.96 113.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.13 -164.47 36.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 110.996 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -107.08 151.66 25.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 0.78 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.2 t -131.92 141.4 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.35 169.68 22.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.45 68.27 3.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -168.81 -58.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 37.9 p90 -165.3 126.15 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.8 m -86.45 157.12 19.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.434 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.592 ' CE3' HD11 ' A' ' 108' ' ' ILE . 7.0 p-90 -162.75 163.99 26.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.167 . . . . 0.0 107.967 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.2 p -151.14 156.93 42.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.043 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -110.4 133.09 53.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -126.05 -178.99 4.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -38.47 -75.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.5 p -135.39 68.62 1.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.41 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 2.8 p-10 166.37 147.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.528 HD23 ' HZ3' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -120.32 155.95 32.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -137.57 116.23 12.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -119.13 127.99 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.447 ' HG3' HD22 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -115.97 126.21 53.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.571 HG21 HG11 ' A' ' 58' ' ' VAL . 39.7 t -111.59 129.97 23.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.357 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.5 Cg_endo -74.97 140.65 25.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.527 1.804 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.408 HG11 HG23 ' A' ' 93' ' ' VAL . 30.1 m -125.68 158.75 63.94 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.479 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.99 177.22 8.88 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.498 1.789 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.77 12.08 9.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.479 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 5.1 p-80 -114.29 -2.39 13.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.621 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.477 HG23 ' HG2' ' A' ' 38' ' ' PRO . 16.6 t -104.08 110.9 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.475 HG12 ' CB ' ' A' ' 89' ' ' PRO . 16.9 m -129.67 -41.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.53 148.51 29.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.14 -14.53 82.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -77.1 -13.58 59.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -82.65 -14.08 55.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -123.75 150.93 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.38 130.84 56.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.671 HG21 ' CE3' ' A' ' 85' ' ' TRP . 55.3 t -131.58 107.44 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.551 ' HB3' ' HB2' ' A' ' 57' ' ' ARG . . . -104.81 124.19 49.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.2 mt -123.81 125.68 45.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.611 ' O ' HG21 ' A' ' 80' ' ' THR . 41.1 m -127.34 -64.82 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.953 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 52' ' ' SER . 98.0 p 178.31 -54.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.9 33.01 5.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.86 147.04 23.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 1.015 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -140.71 151.24 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.137 . . . . 0.0 109.336 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 1.015 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -139.9 131.14 26.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.649 HG23 ' CD1' ' A' ' 56' ' ' ILE . 14.3 t -139.46 105.99 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.55 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -131.88 159.85 37.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.5 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -140.73 143.16 34.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.984 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.5 ' O ' ' CE ' ' A' ' 60' ' ' MET . 12.5 mt -77.82 130.8 37.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -93.54 -67.46 0.86 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -166.42 -65.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -94.88 -6.74 42.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.27 -134.62 1.68 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.477 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 2.0 pm0 -159.74 178.63 9.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 110.272 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.92 142.95 30.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.7 t -90.93 97.14 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.486 HD21 ' HG2' ' A' ' 60' ' ' MET . 42.1 mt -61.34 -56.07 24.56 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.495 ' HE3' HG21 ' A' ' 108' ' ' ILE . 18.1 ttt -139.81 131.2 26.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.449 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 10.2 tm-20 -163.05 153.99 16.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.741 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 147.38 158.02 7.68 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.955 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -68.03 130.14 42.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.7 mt -66.7 164.78 16.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 108' ' ' ILE . 23.3 p -67.54 -46.26 73.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 110.368 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -134.94 -168.84 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.602 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -90.89 164.99 13.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.493 ' HA ' HG13 ' A' ' 100' ' ' VAL . 2.0 pp -142.05 -172.83 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -113.64 75.87 0.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.611 HG21 ' O ' ' A' ' 52' ' ' SER . 70.9 p -38.88 -40.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.44 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -55.72 -54.13 48.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.29 -27.92 62.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.04 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.0 m -71.02 156.31 39.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -147.94 179.56 7.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.695 ' HB2' HG22 ' A' ' 95' ' ' VAL . 1.6 p-90 -164.55 132.36 3.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 107.985 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.4 m -127.72 134.37 49.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.817 HD22 ' N ' ' A' ' 88' ' ' GLU . 1.1 tm? -98.33 138.74 35.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.817 ' N ' HD22 ' A' ' 87' ' ' LEU . 2.3 mt-10 -118.5 132.51 23.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.475 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.95 124.7 8.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.442 1.759 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.6 46.55 88.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -148.85 -100.27 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -163.76 173.36 12.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.289 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.803 HG22 HD23 ' A' ' 87' ' ' LEU . 46.5 t -100.43 140.62 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.717 HD13 ' N ' ' A' ' 95' ' ' VAL . 0.6 OUTLIER -114.53 130.15 56.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.717 ' N ' HD13 ' A' ' 94' ' ' LEU . 74.1 t -134.6 120.78 33.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -104.06 125.0 50.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.2 mt -108.12 127.41 53.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.94 114.06 27.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.572 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 27.5 mttt -62.91 146.28 53.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.493 HG13 ' HA ' ' A' ' 78' ' ' ILE . 28.3 m -97.68 41.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 139.02 -159.91 25.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -96.31 94.77 7.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -128.42 155.75 44.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 29.7 t-105 -103.28 103.1 13.09 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.129 . . . . 0.0 108.0 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.572 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 11.8 m95 -83.59 92.93 7.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 107.976 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -72.69 -12.83 61.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.631 ' O ' HG21 ' A' ' 75' ' ' THR . . . -164.27 175.65 9.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.66 ' O ' HG23 ' A' ' 75' ' ' THR . 8.2 mm -92.24 -55.59 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.741 HD13 ' HA3' ' A' ' 72' ' ' GLY . 48.2 mt -99.2 160.53 14.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.62 58.4 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 169.4 40.13 0.03 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.474 ' HB3' ' HB1' ' A' ' 107' ' ' ALA . 3.2 tp10 -128.98 137.18 51.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.755 . . . . 0.0 110.263 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -41.53 138.4 1.63 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 127.86 11.02 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 23.6 pt -47.24 164.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.252 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -78.89 -51.8 9.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.252 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.6 mm -41.54 134.23 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -150.84 168.2 25.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 120' ' ' GLY . 2.1 t -126.82 174.88 8.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.958 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 119' ' ' SER . . . -60.59 -130.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 137.32 21.55 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.9 m -135.37 -55.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.97 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.5 t -44.26 -58.51 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.02 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 m 63.26 166.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 0.746 . . . . 0.0 109.965 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.8 p 44.23 83.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.19 -78.11 0.75 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 47.41 86.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.763 . . . . 0.0 110.018 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t -143.66 116.21 8.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.953 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.58 178.51 16.75 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.56 137.83 57.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 0.731 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.38 142.78 35.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -119.53 149.8 48.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.419 ' O ' ' CB ' ' A' ' 12' ' ' ASP . 18.3 Cg_endo -75.02 -47.32 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 11' ' ' PRO . 0.5 OUTLIER 76.53 -64.29 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.744 ' CB ' HG21 ' A' ' 23' ' ' THR . 3.6 t -128.53 -62.6 1.02 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -158.92 128.28 5.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -57.0 95.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 178.79 -80.96 0.06 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -129.26 111.62 13.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.5 t -141.91 116.63 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -124.97 178.25 5.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.3 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.86 71.36 2.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -172.26 -60.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 27.0 p90 -163.5 131.06 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.744 HG21 ' CB ' ' A' ' 13' ' ' SER . 2.9 m -88.07 151.95 22.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.383 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.528 ' CE3' HD11 ' A' ' 108' ' ' ILE . 8.6 p-90 -159.4 162.59 35.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 107.982 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.3 p -147.45 158.61 44.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -108.88 119.93 41.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 28' ' ' TYR . 1.4 m-20 -110.53 -179.04 3.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -37.42 -65.23 0.32 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -147.25 74.86 1.35 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 110.415 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 166.47 144.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.489 HD23 ' CZ3' ' A' ' 24' ' ' TRP . 2.7 mp -113.52 123.61 50.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.91 112.45 24.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -116.52 134.18 60.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.5 mtt85 -119.22 132.75 55.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.52 HG21 HG11 ' A' ' 58' ' ' VAL . 5.2 t -115.8 127.53 26.71 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.181 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 141.34 26.52 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.455 1.766 . . . . 0.0 110.96 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.4 m -125.16 158.84 62.1 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.567 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.06 177.45 8.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.778 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.95 14.59 7.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.567 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 7.0 p-80 -115.77 -3.85 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.601 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.496 HG23 ' HG2' ' A' ' 38' ' ' PRO . 33.6 t -103.91 111.35 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.487 HG12 ' CB ' ' A' ' 89' ' ' PRO . 13.9 m -128.69 -41.22 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -77.68 162.1 27.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.354 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.67 -15.81 62.91 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 111.047 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -79.11 -14.73 58.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -84.64 2.08 43.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -141.99 127.65 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.51 128.39 46.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.504 HG21 ' CE3' ' A' ' 85' ' ' TRP . 37.9 t -130.78 122.83 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.545 ' HB3' ' HB3' ' A' ' 57' ' ' ARG . . . -112.19 106.62 15.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 51' ' ' LEU . 15.9 mt -88.13 116.92 26.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 55' ' ' SER . 0.8 OUTLIER -127.11 143.19 51.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.546 ' HA ' HG23 ' A' ' 80' ' ' THR . 1.8 m -51.63 -26.05 8.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.9 p -148.86 53.62 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.427 ' O ' ' CB ' ' A' ' 52' ' ' SER . 0.0 OUTLIER 173.49 134.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.025 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.978 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -128.94 154.64 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.978 ' N ' HD13 ' A' ' 56' ' ' ILE . 34.7 ttt180 -143.47 139.62 29.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.62 HG23 ' CD1' ' A' ' 56' ' ' ILE . 18.4 t -142.02 119.94 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.447 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -141.13 159.73 41.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.5 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -142.19 142.24 32.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.5 ' O ' ' CE ' ' A' ' 60' ' ' MET . 15.1 mt -75.84 133.45 40.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -102.87 -84.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -165.13 -45.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -116.9 20.34 13.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 146.18 127.54 1.87 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.477 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 1.4 pm0 -64.95 175.43 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 0.807 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 1.3 ttt85 -141.51 141.42 33.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.4 t -89.57 99.33 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.446 HD13 HG12 ' A' ' 35' ' ' VAL . 46.4 mt -61.83 -50.33 72.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.471 ' HE1' HG21 ' A' ' 108' ' ' ILE . 18.3 ttt -141.8 148.63 39.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.516 ' O ' HD13 ' A' ' 109' ' ' LEU . 8.6 tm-20 -177.59 160.85 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.5 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 141.05 161.82 8.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.81 129.62 34.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.536 HD23 HD23 ' A' ' 109' ' ' LEU . 29.7 mt -65.07 152.36 43.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.474 HG22 ' HA ' ' A' ' 110' ' ' GLU . 7.6 p -77.1 -5.7 49.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.525 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 14.0 m-70 -152.85 176.73 11.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.608 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.476 ' C ' HG23 ' A' ' 78' ' ' ILE . 11.0 mttt -85.51 170.68 12.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.506 HD11 HG22 ' A' ' 80' ' ' THR . 1.8 pp -155.32 162.0 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' THR . 4.8 t-20 -95.17 74.39 3.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.546 HG23 ' HA ' ' A' ' 53' ' ' SER . 74.6 p -37.6 -48.44 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -43.35 -54.74 4.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.254 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.8 m -71.04 -32.59 69.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 10.0 m -64.68 129.49 40.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.453 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.5 OUTLIER -116.21 178.83 4.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.752 ' HB2' HG22 ' A' ' 95' ' ' VAL . 0.7 OUTLIER -165.13 120.23 1.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 108.033 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.5 m -123.01 141.55 51.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.846 HD22 ' H ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -103.11 140.4 37.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.846 ' H ' HD22 ' A' ' 87' ' ' LEU . 8.5 mt-10 -120.41 133.81 24.06 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.487 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.1 Cg_endo -75.05 123.97 8.25 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.39 45.62 82.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.22 -102.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.4 p -163.65 177.33 8.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 108.318 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.526 HG22 HD23 ' A' ' 87' ' ' LEU . 74.7 t -105.24 137.37 35.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.662 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.6 tm? -113.64 129.14 56.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.752 HG22 ' HB2' ' A' ' 85' ' ' TRP . 81.7 t -136.6 139.8 44.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.491 HD21 HD11 ' A' ' 94' ' ' LEU . 1.7 m-80 -119.62 116.52 26.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.1 mt -97.03 112.35 24.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.0 t -70.48 139.82 51.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -82.81 131.58 35.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 100' ' ' VAL . 16.7 t -112.61 93.73 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 77.43 148.72 3.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.13 93.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 0.743 . . . . 0.0 110.321 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -129.33 153.05 48.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.514 ' O ' ' CD2' ' A' ' 76' ' ' HIS . 0.9 OUTLIER -81.14 124.16 29.02 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.525 ' CE2' ' HB2' ' A' ' 76' ' ' HIS . 7.2 m95 -102.01 -71.24 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 108.016 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.484 ' ND2' ' CB ' ' A' ' 114' ' ' PRO . 2.2 t-20 80.2 -52.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -127.23 161.63 28.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.528 HD11 ' CE3' ' A' ' 24' ' ' TRP . 3.6 mm -76.72 -63.18 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.536 HD23 HD23 ' A' ' 74' ' ' LEU . 28.3 mt -97.64 163.73 12.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.474 ' HA ' HG22 ' A' ' 75' ' ' THR . 11.1 mt-10 -70.25 -8.7 52.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -115.49 42.71 1.84 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -137.37 122.24 18.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -42.64 147.84 0.59 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.484 ' CB ' ' ND2' ' A' ' 106' ' ' ASN . 18.5 Cg_endo -74.92 -172.46 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 15.2 pt -129.87 171.18 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -108.44 -51.51 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 9.1 mm -52.95 134.2 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -150.61 131.7 14.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.337 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.75 84.49 5.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.947 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -114.76 -143.84 8.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 68.15 5.76 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.455 1.766 . . . . 0.0 111.025 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.9 p -175.25 132.1 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 75.5 p -68.82 103.38 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.94 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.79 85.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 0.713 . . . . 0.0 110.033 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t 66.78 96.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.47 80.22 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -163.04 116.47 1.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 0.77 . . . . 0.0 110.003 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.26 -59.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.947 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.24 -138.96 3.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 61.04 164.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 0.741 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.71 157.43 7.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -138.62 146.99 53.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 179.58 5.95 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.557 1.819 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -40.64 -56.33 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 0.0 109.251 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' TYR . 20.4 p -71.46 114.19 9.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' SER . 6.5 t80 -37.75 -51.98 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -170.29 103.03 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -171.61 -107.14 0.2 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -176.88 122.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.592 HG12 ' CG2' ' A' ' 23' ' ' THR . 4.1 m -98.88 -171.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.72 157.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.55 78.86 3.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.357 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.516 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 2.3 t30 173.54 -62.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.516 ' CD2' ' HB3' ' A' ' 21' ' ' ASN . 36.8 p90 -159.47 133.74 7.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.592 ' CG2' HG12 ' A' ' 18' ' ' VAL . 1.6 m -86.5 146.61 26.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.577 ' HZ3' HD23 ' A' ' 31' ' ' LEU . 12.7 p-90 -157.84 165.36 35.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.035 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.2 p -151.62 155.63 38.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.96 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.499 ' OE1' HD11 ' A' ' 115' ' ' ILE . 36.2 tt0 -108.8 131.81 54.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -118.49 178.61 4.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -39.24 -59.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.6 t -149.63 67.11 1.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.414 ' N ' ' HE3' ' A' ' 99' ' ' LYS . 1.3 p-10 172.41 153.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.777 HD21 ' CB ' ' A' ' 105' ' ' TRP . 1.7 mp -124.23 156.79 36.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -146.69 107.95 4.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.96 123.22 68.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -113.1 124.3 52.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.475 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 47.3 t -105.62 133.15 20.32 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.02 137.54 21.8 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.516 1.798 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.545 ' CG1' HG23 ' A' ' 93' ' ' VAL . 32.4 m -123.93 158.52 59.88 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.571 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.07 178.0 7.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.439 1.757 . . . . 0.0 110.968 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -85.71 12.2 9.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.571 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 6.3 p-80 -113.82 -3.6 13.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.61 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.459 HG23 ' HG2' ' A' ' 38' ' ' PRO . 16.0 t -102.51 109.34 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.477 ' HA ' ' HA ' ' A' ' 89' ' ' PRO . 15.2 m -127.8 -41.3 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -81.07 153.41 27.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.47 -12.15 80.83 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -79.98 -13.44 59.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -84.37 -13.08 53.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -121.47 141.32 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -103.18 136.08 43.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.551 HG21 ' CD2' ' A' ' 85' ' ' TRP . 55.5 t -139.65 113.68 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.47 114.4 27.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.0 mt -113.99 123.49 49.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.578 ' O ' HG21 ' A' ' 80' ' ' THR . 2.6 m -123.36 -65.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 52' ' ' SER . 99.6 p 178.39 -55.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.161 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.1 30.63 6.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.503 ' N ' HD12 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -151.72 147.98 27.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.965 HD11 HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -140.9 150.55 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.528 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -143.78 125.57 15.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.965 HG23 HD11 ' A' ' 56' ' ' ILE . 99.3 t -133.76 121.96 41.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 47' ' ' VAL . . . -150.1 140.26 22.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.481 ' HG2' HD21 ' A' ' 69' ' ' LEU . 2.0 ptm -116.91 138.32 51.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.7 mt -66.3 139.19 58.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -103.57 -174.25 2.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.344 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.06 -19.59 61.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -150.86 49.88 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 144.11 -135.15 6.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.156 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -160.9 170.49 20.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.272 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 1.1 ttt180 -144.45 141.54 29.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.8 t -91.55 99.11 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.481 HD21 ' HG2' ' A' ' 60' ' ' MET . 25.2 mt -63.86 -51.67 63.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.486 ' SD ' ' CG ' ' A' ' 22' ' ' TYR . 19.8 ttt -138.38 142.21 39.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.455 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 10.9 tm-20 -171.97 154.71 3.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.466 ' O ' HD22 ' A' ' 109' ' ' LEU . . . 142.65 155.41 6.43 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -71.14 133.52 46.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.503 HD12 ' N ' ' A' ' 55' ' ' SER . 8.7 mt -70.2 164.35 24.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 108' ' ' ILE . 8.3 p -83.76 -19.9 34.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.428 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -143.66 179.45 7.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.596 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -95.86 172.48 7.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.556 ' HA ' HG13 ' A' ' 100' ' ' VAL . 1.9 pp -149.06 -171.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 82' ' ' SER . 11.8 t-20 -117.32 76.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.578 HG21 ' O ' ' A' ' 52' ' ' SER . 57.3 p -37.96 -46.35 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.388 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -53.67 -51.55 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 79' ' ' ASN . 0.7 OUTLIER -74.09 -27.33 60.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.9 m -75.36 163.77 27.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -155.09 179.25 9.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.779 ' HB2' HG22 ' A' ' 95' ' ' VAL . 5.8 p-90 -163.81 124.37 2.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 107.993 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.0 p -115.76 136.78 52.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.911 HD23 HG22 ' A' ' 93' ' ' VAL . 1.2 tm? -99.52 139.69 34.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.823 ' H ' HD22 ' A' ' 87' ' ' LEU . 1.8 mm-40 -119.47 133.28 23.8 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.477 ' HA ' ' HA ' ' A' ' 42' ' ' VAL . 18.2 Cg_endo -74.99 125.92 9.64 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.49 54.14 36.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.46 -97.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -162.14 177.49 9.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.316 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.911 HG22 HD23 ' A' ' 87' ' ' LEU . 55.5 t -104.23 133.66 47.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.69 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.4 tm? -103.09 129.96 50.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.779 HG22 ' HB2' ' A' ' 85' ' ' TRP . 74.7 t -135.92 107.77 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -93.21 130.2 38.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.0 mt -113.94 129.86 56.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.23 109.17 20.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.006 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.536 ' HE2' HD11 ' A' ' 31' ' ' LEU . 78.4 mttt -57.49 152.61 14.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.556 HG13 ' HA ' ' A' ' 78' ' ' ILE . 33.5 m -102.68 44.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.02 -175.72 19.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -75.58 93.96 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -129.07 156.1 44.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 111.068 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 16.9 p90 -103.36 120.1 40.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 107.99 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.777 ' CB ' HD21 ' A' ' 31' ' ' LEU . 22.0 m95 -105.09 95.08 5.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 108.017 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -100.65 10.59 40.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -178.28 133.02 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.568 ' O ' HG23 ' A' ' 75' ' ' THR . 3.4 mm -70.61 -60.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.466 HD22 ' O ' ' A' ' 72' ' ' GLY . 63.8 mt -97.73 166.3 11.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.86 162.85 28.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 80.46 -51.13 4.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.29 113.56 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -44.88 164.83 0.17 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 125.13 9.16 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.51 1.795 . . . . 0.0 111.04 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.499 HD11 ' OE1' ' A' ' 26' ' ' GLN . 17.5 pt -48.28 174.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -165.04 115.42 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 5.2 mt -42.41 156.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.39 141.35 57.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.1 p -137.88 108.6 6.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.997 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 71.81 -148.83 43.83 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.8 37.2 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.506 1.792 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 m -148.06 105.92 3.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.68 139.42 5.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.2 t -178.32 131.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.992 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.22 98.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.82 68.18 0.55 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t 72.81 -64.17 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.81 83.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.1 89.89 0.08 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -179.68 -58.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 110.255 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.61 149.83 29.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -90.37 155.49 46.41 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 176.35 10.03 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.9 p30 -156.24 155.77 32.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.11 -51.24 18.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.7 t80 45.74 93.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -173.71 -56.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -122.93 -83.51 0.64 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.93 122.73 10.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 109.327 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.1 m -106.43 -170.0 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.0 -169.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.251 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -109.99 62.86 0.6 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 110.252 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -172.0 -60.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 39.2 p90 -158.35 127.95 5.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 p -86.7 155.02 20.54 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.523 ' CG ' HG13 ' A' ' 108' ' ' ILE . 16.6 p-90 -163.92 165.03 23.1 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.5 p -153.8 174.14 14.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.619 ' NE2' HG21 ' A' ' 117' ' ' ILE . 1.0 OUTLIER -113.66 130.63 56.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.92 179.82 3.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -37.91 -52.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 29' ' ' THR . 3.4 t -158.51 68.69 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.386 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 172.82 158.61 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.475 HD22 ' CE3' ' A' ' 105' ' ' TRP . 2.7 mp -117.81 125.94 51.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -114.32 112.1 22.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -116.85 122.66 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.408 ' CG ' HD23 ' A' ' 94' ' ' LEU . 26.0 mtt180 -108.36 131.92 54.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.518 HG21 HG11 ' A' ' 58' ' ' VAL . 32.2 t -112.25 131.97 22.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.01 141.73 26.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.562 1.822 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.8 m -128.34 158.41 71.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -74.99 179.53 6.0 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.496 1.788 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.99 12.99 9.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.444 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 3.9 p-80 -115.66 -3.41 12.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.593 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.415 HG23 ' HG2' ' A' ' 38' ' ' PRO . 3.6 t -98.97 108.87 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.634 HG12 ' CB ' ' A' ' 89' ' ' PRO . 16.4 m -131.15 -41.26 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -82.31 133.74 35.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.63 -34.88 44.35 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -60.23 -15.42 24.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 0.745 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 40' ' ' HIS . 17.4 mt-30 -78.32 -7.31 57.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.466 ' CG2' ' HG ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -140.19 131.28 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.0 m -97.25 144.66 26.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.029 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.961 HG21 ' CE3' ' A' ' 85' ' ' TRP . 3.2 t -138.59 115.21 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HB3' ' HB3' ' A' ' 57' ' ' ARG . . . -112.84 109.08 18.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.1 mt -109.01 128.45 54.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.676 ' O ' HG21 ' A' ' 80' ' ' THR . 4.1 m -124.8 -66.36 0.97 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 77' ' ' LYS . 26.6 t 173.91 -47.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 74' ' ' LEU . 83.3 p -122.77 31.91 5.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.2 t -158.89 172.65 17.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.99 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.845 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -165.75 155.18 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.845 ' N ' HD13 ' A' ' 56' ' ' ILE . 11.0 ttt180 -143.96 134.38 24.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.793 HG23 HD11 ' A' ' 56' ' ' ILE . 88.2 t -138.23 97.51 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 67' ' ' ARG . . . -122.68 130.94 53.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.64 ' HG2' HD21 ' A' ' 69' ' ' LEU . 1.6 ptm -108.08 135.97 48.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.453 ' O ' ' CE ' ' A' ' 60' ' ' MET . 7.6 mt -65.77 138.29 57.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -101.86 -174.2 2.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.19 -18.76 60.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -151.35 48.88 0.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 145.38 -137.24 6.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.22 166.33 27.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.783 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -141.06 140.14 34.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.3 t -88.18 99.63 9.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.64 HD21 ' HG2' ' A' ' 60' ' ' MET . 34.6 mt -62.59 -60.15 3.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.534 ' HE1' HG21 ' A' ' 108' ' ' ILE . 27.5 ttt -131.94 147.81 52.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -177.83 156.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 140.36 157.79 7.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -74.96 127.28 32.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.554 HD23 HD23 ' A' ' 109' ' ' LEU . 5.2 mt -66.94 173.85 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.3 p -83.89 -35.4 24.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.401 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.541 ' CD2' ' HB3' ' A' ' 103' ' ' TYR . 14.6 m-70 -130.54 171.86 12.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.606 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 53' ' ' SER . 14.6 mttp -80.83 173.14 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.407 ' CG2' ' CZ2' ' A' ' 105' ' ' TRP . 2.2 pp -151.85 166.64 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -95.24 80.24 3.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.676 HG21 ' O ' ' A' ' 52' ' ' SER . 29.6 p -42.47 -35.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -59.23 -51.15 71.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 37.0 m -75.74 -17.85 59.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 m -82.7 143.16 31.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.8 OUTLIER -138.19 179.26 6.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.961 ' CE3' HG21 ' A' ' 49' ' ' VAL . 4.0 p-90 -158.93 120.97 3.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 107.972 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 69.9 m -119.26 128.47 54.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.037 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.902 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -93.77 144.37 25.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.902 ' H ' HD22 ' A' ' 87' ' ' LEU . 1.6 mt-10 -123.58 135.57 26.28 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.634 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.03 121.43 6.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 58.05 55.51 30.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.454 1.097 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -157.74 -100.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 0.787 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -164.38 177.64 8.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 108.313 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.676 HG22 HD23 ' A' ' 87' ' ' LEU . 53.9 t -104.55 136.03 39.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.422 HD13 ' N ' ' A' ' 95' ' ' VAL . 2.2 tm? -111.08 132.44 54.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.847 HG22 ' HB2' ' A' ' 85' ' ' TRP . 53.4 t -136.98 141.24 41.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.455 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 3.0 m-80 -118.46 113.84 21.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.5 mt -98.06 118.02 33.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.7 142.78 33.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 110.038 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -82.02 137.06 35.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 100' ' ' VAL . 5.1 t -119.48 95.1 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.22 -179.99 50.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -85.08 94.47 8.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.541 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 51.6 m-85 -128.86 155.78 44.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 111.012 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 20.0 p90 -103.72 103.39 13.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.475 ' CE3' HD22 ' A' ' 31' ' ' LEU . 34.9 m95 -80.65 86.43 5.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 108.01 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' A' ' 107' ' ' ALA . 12.1 p30 -91.11 5.33 49.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 106' ' ' ASN . . . 177.46 133.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.534 HG21 ' HE1' ' A' ' 70' ' ' MET . 5.5 mm -56.97 -51.96 61.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.554 HD23 HD23 ' A' ' 74' ' ' LEU . 68.4 mt -105.82 166.95 10.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.68 156.27 27.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.49 -47.59 3.64 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.517 1.136 . . . . 0.0 111.039 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.425 ' HB3' ' HB1' ' A' ' 107' ' ' ALA . 0.3 OUTLIER -48.31 115.02 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.318 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -38.55 151.51 0.18 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 127.21 10.51 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 25.4 pt -48.17 162.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -126.85 54.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.619 HG21 ' NE2' ' A' ' 26' ' ' GLN . 2.1 pp -50.98 178.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -174.12 148.21 1.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.15 153.02 51.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 66.13 175.82 6.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -53.29 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 69.6 p -116.63 115.13 25.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.028 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.2 t 58.79 158.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.969 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -145.8 96.13 2.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 0.809 . . . . 0.0 109.974 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -121.1 120.39 35.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.6 84.18 0.19 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -159.33 -58.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.766 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 p -88.55 -58.87 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.67 -130.2 9.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -155.49 -59.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.737 . . . . 0.0 110.29 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt 55.81 70.38 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -90.61 135.46 29.2 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 177.68 8.28 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.471 1.774 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.18 -54.75 13.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.465 ' HB2' HG11 ' A' ' 18' ' ' VAL . 54.9 p -84.29 84.04 7.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.947 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -140.01 -54.85 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.5 155.39 23.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.62 -135.1 14.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.441 1.088 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.472 ' O ' ' CD1' ' A' ' 24' ' ' TRP . . . -141.61 134.54 28.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.756 . . . . 0.0 109.236 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.8 ' CG2' HG23 ' A' ' 23' ' ' THR . 1.9 p -154.54 149.83 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.28 -73.24 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -179.33 -37.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.32 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -58.86 -55.18 38.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 31.0 p90 -149.44 129.84 13.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.8 HG23 ' CG2' ' A' ' 18' ' ' VAL . 1.8 m -87.22 149.81 24.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.628 ' CE3' HD11 ' A' ' 108' ' ' ILE . 21.8 p-90 -155.39 168.62 26.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 108.009 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.8 m -153.44 166.72 31.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.042 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -119.35 122.05 40.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -108.09 178.15 4.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -39.84 -55.78 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.4 71.91 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 169.46 159.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.622 HD11 ' HE2' ' A' ' 99' ' ' LYS . 2.7 mp -123.93 143.19 50.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -132.54 109.12 9.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -122.05 126.69 74.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -118.09 130.02 55.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.631 HG21 HG11 ' A' ' 58' ' ' VAL . 41.1 t -106.0 131.63 21.57 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.99 138.38 22.99 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.509 1.794 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.407 ' CG1' HG23 ' A' ' 93' ' ' VAL . 33.1 m -122.99 158.75 56.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.556 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.05 176.93 9.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -84.26 9.45 12.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.556 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 4.4 p-80 -109.57 -3.84 16.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.6 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.418 HG23 ' HG2' ' A' ' 38' ' ' PRO . 16.0 t -102.01 110.54 29.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.631 HG12 ' CB ' ' A' ' 89' ' ' PRO . 16.3 m -134.28 -41.17 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -78.68 147.52 33.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.1 0.6 58.47 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.21 -11.04 36.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -94.96 24.94 4.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.493 HG21 ' HG ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -155.83 140.37 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.11 130.36 55.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.641 HG21 ' CE3' ' A' ' 85' ' ' TRP . 42.8 t -129.8 138.54 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.26 109.39 10.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.0 mt -107.76 123.6 48.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.631 ' O ' HG21 ' A' ' 80' ' ' THR . 3.2 m -124.2 -67.2 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 52' ' ' SER . 79.9 p 176.76 -52.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 74' ' ' LEU . 47.2 p -120.38 27.58 8.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.996 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.82 153.97 40.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.039 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.918 HD11 HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -147.54 146.56 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.729 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.4 OUTLIER -142.97 130.51 21.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.918 HG23 HD11 ' A' ' 56' ' ' ILE . 58.1 t -136.53 113.4 13.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 67' ' ' ARG . . . -135.27 162.9 31.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.407 ' HG2' ' CG ' ' A' ' 69' ' ' LEU . 0.9 OUTLIER -142.13 135.0 28.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.589 1.181 . . . . 0.0 110.977 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 12.5 mt -69.97 130.76 43.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -97.26 -67.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -166.58 -68.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.334 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -89.81 -5.44 56.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -166.06 -134.78 1.73 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.446 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -157.16 177.41 11.52 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 0.737 . . . . 0.0 110.285 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 14.8 ttt180 -140.86 137.69 33.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.1 t -90.02 99.17 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.363 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.409 HD13 HG12 ' A' ' 35' ' ' VAL . 29.4 mt -62.66 -55.74 24.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 58' ' ' VAL . 21.0 ttt -134.66 143.46 47.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 10.8 tm-20 -171.51 154.99 3.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.659 ' O ' HD22 ' A' ' 109' ' ' LEU . . . 145.08 151.73 5.48 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -68.85 132.0 46.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.252 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 54' ' ' SER . 13.9 mt -67.73 160.91 27.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 108' ' ' ILE . 7.9 p -76.21 -26.35 56.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -141.89 -174.14 4.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.629 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -94.96 163.7 13.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.3 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.0 pp -138.61 -175.12 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -110.07 85.74 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.631 HG21 ' O ' ' A' ' 52' ' ' SER . 9.7 p -51.27 -21.1 1.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.384 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -73.54 -51.05 18.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.65 -23.75 45.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.2 m -76.43 143.3 40.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.943 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.446 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 0.6 OUTLIER -132.3 179.35 6.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.641 ' CE3' HG21 ' A' ' 49' ' ' VAL . 1.1 p-90 -159.8 121.53 3.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 0.0 107.97 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 m -124.2 159.12 30.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.848 HD22 ' H ' ' A' ' 88' ' ' GLU . 1.1 tm? -119.73 141.78 49.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.848 ' H ' HD22 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -123.67 135.52 26.26 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.631 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.99 123.77 8.14 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.47 1.774 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.37 59.41 9.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.433 1.083 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -159.54 -99.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -164.52 177.67 7.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 108.301 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.484 HG22 HD23 ' A' ' 87' ' ' LEU . 44.4 t -104.85 130.87 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.681 HD13 ' N ' ' A' ' 95' ' ' VAL . 2.0 tm? -98.61 138.12 36.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.681 ' N ' HD13 ' A' ' 94' ' ' LEU . 89.3 t -147.85 128.16 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.612 HD21 HD11 ' A' ' 94' ' ' LEU . 2.5 m-80 -110.92 130.2 55.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 96' ' ' ASN . 16.2 mt -116.82 115.17 25.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.89 140.11 31.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.622 ' HE2' HD11 ' A' ' 31' ' ' LEU . 44.9 mttt -87.89 131.7 34.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.7 m -92.07 40.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 144.12 -179.24 21.58 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -86.4 94.27 9.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 110.317 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -128.87 155.9 44.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.978 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.425 ' CG ' ' O ' ' A' ' 104' ' ' TRP . 20.8 p90 -103.54 93.06 4.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 107.993 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.494 ' CB ' HD21 ' A' ' 31' ' ' LEU . 18.7 m95 -66.71 86.07 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -61.97 -15.63 45.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.432 ' HB1' ' HB3' ' A' ' 112' ' ' GLU . . . -171.28 163.72 7.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.628 HD11 ' CE3' ' A' ' 24' ' ' TRP . 4.6 mm -78.17 -60.04 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.659 HD22 ' O ' ' A' ' 72' ' ' GLY . 43.0 mt -101.13 171.06 7.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -80.09 -11.01 59.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -83.0 -37.33 12.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.466 1.104 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.432 ' HB3' ' HB1' ' A' ' 107' ' ' ALA . 0.6 OUTLIER -70.16 112.57 6.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 110.31 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -45.21 161.12 0.24 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 161.29 39.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 13.1 pt -105.27 163.66 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.89 76.38 2.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.5 mm -114.23 151.77 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 51.53 89.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.9 t -175.03 75.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 150.13 175.08 21.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -61.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.511 1.795 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.3 t -42.57 -61.24 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.024 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.71 154.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t 64.68 150.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.017 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 p -90.93 122.13 33.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.046 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.79 -117.91 1.76 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.157 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m 75.46 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 p -95.63 142.59 27.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.45 -160.99 19.74 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.106 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 65.7 149.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 0.75 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -71.61 156.89 38.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.51 151.07 32.57 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -167.53 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.53 1.805 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.63 -62.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.8 m -137.53 136.04 37.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -141.32 132.65 26.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 171.06 -52.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -152.26 -104.22 0.26 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.7 160.74 14.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.605 HG13 HG23 ' A' ' 23' ' ' THR . 53.7 t -148.78 117.03 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.27 160.54 14.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -81.49 -55.23 4.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 69' ' ' LEU . 10.5 t30 -46.68 -58.45 3.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 29.2 p90 -147.31 131.31 17.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.605 HG23 HG13 ' A' ' 18' ' ' VAL . 63.6 m -86.47 159.02 19.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 110.383 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.521 ' CG ' HG13 ' A' ' 108' ' ' ILE . 3.2 p-90 -162.03 160.84 28.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 107.95 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.448 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 5.4 p -153.93 158.67 41.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -110.63 131.94 54.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.267 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -115.85 -179.35 3.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -39.59 -52.26 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.54 ' O ' HG23 ' A' ' 29' ' ' THR . 6.4 t -154.93 68.9 0.71 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 167.86 171.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.522 HD21 ' CG ' ' A' ' 105' ' ' TRP . 0.3 OUTLIER -131.44 158.03 41.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -139.01 101.45 4.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 110.32 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.445 HG13 ' HB ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -110.18 116.64 52.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 49.5 mtm-85 -109.58 124.5 51.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 73.7 t -106.1 131.13 21.99 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.93 135.58 19.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.771 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.531 ' CG1' HG23 ' A' ' 93' ' ' VAL . 32.5 m -120.21 159.13 48.73 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.56 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.98 176.09 10.37 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -84.31 8.45 16.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.56 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 3.3 p-80 -106.6 -4.41 19.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.583 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.534 HG23 ' CD2' ' A' ' 40' ' ' HIS . 37.7 t -104.28 110.84 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.522 HG12 ' CB ' ' A' ' 89' ' ' PRO . 30.8 m -136.77 15.66 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -139.67 158.94 43.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.15 -22.96 46.55 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 ptmm? -72.11 -16.54 62.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 0.793 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 61' ' ' LEU . 5.8 mt-30 -81.51 -16.43 51.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -119.44 152.08 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.21 124.89 53.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.82 HG21 ' CD2' ' A' ' 85' ' ' TRP . 70.0 t -121.17 106.62 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.848 ' HB3' ' HB2' ' A' ' 57' ' ' ARG . . . -107.27 114.48 28.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.2 mt -118.27 140.37 49.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.605 ' O ' HG21 ' A' ' 80' ' ' THR . 27.9 m -132.4 -65.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.011 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 76.8 p 176.69 -51.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.039 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.0 p -117.1 33.12 5.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.0 t -162.94 174.84 11.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.684 ' CD1' HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -165.1 154.42 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.848 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -135.95 133.45 37.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.684 HG23 ' CD1' ' A' ' 56' ' ' ILE . 63.4 t -138.24 108.54 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.46 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -135.15 156.62 48.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.425 ' HE1' ' CE1' ' A' ' 40' ' ' HIS . 0.9 OUTLIER -137.14 141.38 42.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.51 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 7.4 mt -65.55 130.0 41.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.28 -172.87 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.54 -0.06 56.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 64' ' ' ASN . 11.5 p-10 -158.15 57.01 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.7 121.22 2.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.51 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 2.3 pm0 -44.0 165.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 12.6 ttt180 -132.99 136.17 45.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.521 HG21 ' NH1' ' A' ' 57' ' ' ARG . 71.5 t -82.53 99.94 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.453 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 30.5 mt -65.14 -50.73 64.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.407 ' O ' ' N ' ' A' ' 58' ' ' VAL . 19.0 ttt -139.91 139.66 36.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.451 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 12.3 tm-20 -172.44 148.92 2.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.133 . . . . 0.0 110.33 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.457 ' O ' HD22 ' A' ' 109' ' ' LEU . . . 147.54 155.39 6.57 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.03 136.09 56.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 0.794 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.519 HD23 HD23 ' A' ' 109' ' ' LEU . 14.9 mt -76.66 175.83 8.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 108' ' ' ILE . 81.5 p -81.32 -40.95 22.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.423 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -130.34 -178.38 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.616 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -89.36 168.15 12.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 80' ' ' THR . 2.0 pp -145.75 -178.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -111.18 77.03 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.605 HG21 ' O ' ' A' ' 52' ' ' SER . 68.2 p -38.03 -47.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.382 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -54.25 -51.78 63.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -22.77 61.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.08 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.7 m -78.3 164.51 24.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.5 OUTLIER -147.94 179.45 7.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.82 ' CD2' HG21 ' A' ' 49' ' ' VAL . 3.0 p-90 -163.51 121.65 1.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 108.024 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -114.68 152.83 31.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.92 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -117.34 146.36 43.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.352 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.92 ' H ' HD22 ' A' ' 87' ' ' LEU . 7.1 mt-10 -127.46 135.78 27.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.522 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.95 120.62 6.16 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 57.03 46.77 91.11 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.528 1.143 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -145.31 -99.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -163.54 176.85 9.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 108.331 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.544 HG22 HD23 ' A' ' 87' ' ' LEU . 98.6 t -106.53 134.43 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.791 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.0 OUTLIER -104.07 128.5 51.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.791 ' N ' HD13 ' A' ' 94' ' ' LEU . 61.0 t -130.67 105.39 11.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.447 ' ND2' HD11 ' A' ' 94' ' ' LEU . 34.7 m120 -89.82 122.71 33.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.1 mt -107.36 125.74 51.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 m -103.0 105.54 15.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -60.06 143.53 51.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.4 m -90.06 45.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 136.64 172.4 12.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.509 1.13 . . . . 0.0 111.047 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -69.67 94.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -129.08 156.0 44.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.41 ' O ' ' CG ' ' A' ' 104' ' ' TRP . 12.9 p90 -109.48 108.07 18.42 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.522 ' CG ' HD21 ' A' ' 31' ' ' LEU . 9.1 m95 -84.8 90.6 7.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 108.01 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -61.83 -14.73 36.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -169.43 163.46 10.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.521 HG13 ' CG ' ' A' ' 24' ' ' TRP . 10.8 mm -80.25 -60.46 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.519 HD23 HD23 ' A' ' 74' ' ' LEU . 56.0 mt -101.08 168.17 9.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -75.46 151.99 37.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 112' ' ' GLU . . . 88.15 -50.08 3.84 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 111' ' ' GLY . 0.5 OUTLIER -38.8 116.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 110.312 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 112' ' ' GLU . 40.7 mt-10 -39.0 145.57 0.37 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.248 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 129.42 12.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 34.2 pt -51.56 -179.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.83 -60.84 1.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.7 mt -82.04 148.34 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.1 t0 177.4 167.84 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.276 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 99.6 p -58.39 -58.18 9.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.52 -152.11 38.94 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 71.71 4.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.466 1.772 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.34 -57.3 2.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 18.9 p -157.2 98.22 1.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.035 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 t -166.65 -58.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.97 140.03 24.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.975 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.48 -170.02 12.96 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 m 56.08 104.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 109.957 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -81.63 156.85 24.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.04 120.13 1.3 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -162.64 133.02 4.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 0.766 . . . . 0.0 110.328 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.39 162.18 14.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -177.98 148.95 0.68 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -43.42 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -159.35 -52.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.3 p -150.07 106.48 3.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.042 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -155.19 100.09 2.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -173.59 -57.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -131.79 -144.92 5.46 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.01 116.68 14.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 0.781 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.3 m -95.73 -173.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.04 152.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -68.34 -37.09 80.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -55.13 -62.49 1.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 42.4 p90 -161.86 127.46 3.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 p -86.49 151.78 23.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.643 ' CE3' HD11 ' A' ' 108' ' ' ILE . 10.9 p-90 -158.36 168.94 25.62 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.4 m -153.78 153.15 31.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.031 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.4 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 36.0 tt0 -108.3 129.33 55.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -132.74 178.63 6.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.465 ' C ' HG23 ' A' ' 29' ' ' THR . 1.0 OUTLIER -95.12 44.82 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.465 HG23 ' C ' ' A' ' 28' ' ' TYR . 37.7 p -154.19 -56.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.367 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -164.22 171.03 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mp -96.17 130.96 43.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.54 117.72 31.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -128.02 132.88 68.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.418 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 11.8 mtp85 -125.95 134.06 51.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.584 HG12 HD13 ' A' ' 69' ' ' LEU . 38.7 t -111.98 135.45 21.26 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.01 140.46 25.45 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.55 HG11 HG23 ' A' ' 93' ' ' VAL . 29.1 m -126.92 158.66 67.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.475 ' HG2' HG23 ' A' ' 41' ' ' VAL . 18.4 Cg_endo -74.94 177.28 8.77 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.468 1.772 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 mmtt -86.26 13.0 8.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.449 ' O ' ' NE2' ' A' ' 46' ' ' GLN . 3.5 p-80 -114.42 -3.0 13.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.626 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.475 HG23 ' HG2' ' A' ' 38' ' ' PRO . 21.1 t -103.26 112.38 36.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.522 HG12 ' CB ' ' A' ' 89' ' ' PRO . 18.9 m -131.37 -41.63 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.18 154.1 33.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.74 -16.8 76.66 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.65 -15.38 59.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 40' ' ' HIS . 7.0 mt-30 -79.43 -3.34 46.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.475 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -137.93 148.03 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.5 m -111.51 140.86 45.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.833 HG21 ' CD2' ' A' ' 85' ' ' TRP . 74.6 t -137.7 127.54 36.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.457 ' HB3' ' CB ' ' A' ' 57' ' ' ARG . . . -132.22 123.66 27.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.407 HD23 HG12 ' A' ' 56' ' ' ILE . 17.7 mt -123.18 134.79 54.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.672 ' O ' HG21 ' A' ' 80' ' ' THR . 16.0 m -126.59 -64.88 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.6 p 176.54 -53.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.17 33.93 5.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.5 t -163.52 174.14 12.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 1.016 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -165.08 157.15 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 1.016 ' N ' HD13 ' A' ' 56' ' ' ILE . 2.2 ttt180 -138.43 127.56 24.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.74 HG23 ' CD1' ' A' ' 56' ' ' ILE . 47.2 t -134.66 133.78 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.475 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -158.85 158.59 33.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.497 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -139.82 142.13 36.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.497 ' O ' ' CE ' ' A' ' 60' ' ' MET . 12.3 mt -74.7 128.62 36.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -93.07 -75.76 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.097 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -157.9 -68.12 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -89.11 -7.27 56.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -164.26 -134.75 1.7 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.468 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -154.94 -179.92 8.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.322 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -146.21 142.64 28.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 58' ' ' VAL . 88.4 t -92.43 97.73 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.584 HD13 HG12 ' A' ' 35' ' ' VAL . 51.1 mt -60.36 -52.6 64.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 20.4 ttt -138.21 145.26 41.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.453 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 10.4 tm-20 -177.98 154.43 0.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.453 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 139.39 160.81 8.49 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -71.5 136.19 47.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 0.748 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.629 HD23 HD23 ' A' ' 109' ' ' LEU . 17.0 mt -74.17 176.65 6.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.2 p -85.8 -30.87 22.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.483 ' NE2' ' CD1' ' A' ' 103' ' ' TYR . 1.6 m80 -139.54 -170.47 2.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.592 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -93.59 172.94 7.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.441 ' C ' ' CG2' ' A' ' 100' ' ' VAL . 2.3 pp -151.55 179.83 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 83' ' ' SER . 6.7 t-20 -108.54 81.11 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.672 HG21 ' O ' ' A' ' 52' ' ' SER . 69.5 p -46.06 -43.33 14.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.386 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -55.74 -51.7 66.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.33 -22.37 59.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 79' ' ' ASN . 17.1 m -73.56 162.03 29.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -152.98 179.34 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.833 ' CD2' HG21 ' A' ' 49' ' ' VAL . 3.5 p-90 -164.59 129.37 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 107.968 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.5 m -125.15 139.37 53.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.877 HD22 ' N ' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -103.07 140.07 37.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.877 ' N ' HD22 ' A' ' 87' ' ' LEU . 1.5 mt-10 -119.66 133.89 23.85 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.522 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.0 122.0 6.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 58.99 49.49 77.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.056 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.03 -97.71 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -163.35 176.86 9.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 108.326 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.829 HG22 HD23 ' A' ' 87' ' ' LEU . 50.0 t -103.6 131.51 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.733 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.5 tm? -99.76 129.02 45.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.733 ' N ' HD13 ' A' ' 94' ' ' LEU . 78.1 t -136.33 113.23 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -99.99 120.91 40.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.2 mt -109.24 125.03 51.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.2 t -81.15 157.94 25.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -98.08 130.54 44.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.246 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.441 ' CG2' ' C ' ' A' ' 78' ' ' ILE . 3.3 t -110.48 99.82 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 69.98 154.22 1.04 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.7 93.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.483 ' CD1' ' NE2' ' A' ' 76' ' ' HIS . 18.5 m-85 -129.78 155.9 45.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.546 ' CD1' ' ND2' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -79.24 154.39 29.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 108.031 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.498 ' O ' ' CZ2' ' A' ' 104' ' ' TRP . 9.2 m95 -135.32 -73.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 108.037 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.653 ' O ' ' HB2' ' A' ' 107' ' ' ALA . 2.0 m-80 50.55 22.75 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.653 ' HB2' ' O ' ' A' ' 106' ' ' ASN . . . 165.18 142.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.643 HD11 ' CE3' ' A' ' 24' ' ' TRP . 2.8 mm -77.17 -59.26 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.629 HD23 HD23 ' A' ' 74' ' ' LEU . 69.5 mt -96.45 164.22 12.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.51 155.71 38.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.74 -48.2 3.84 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.471 ' HB3' ' HB1' ' A' ' 107' ' ' ALA . 0.3 OUTLIER -42.74 113.46 0.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 0.767 . . . . 0.0 110.261 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.17 149.08 0.25 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 131.22 14.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.467 1.772 . . . . 0.0 111.024 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 7.5 pt -55.19 -170.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.165 . . . . 0.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.418 ' C ' HD12 ' A' ' 117' ' ' ILE . 22.4 t0 178.15 125.0 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.744 HG22 ' H ' ' A' ' 118' ' ' ASP . 0.7 OUTLIER 49.7 -179.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.744 ' H ' HG22 ' A' ' 117' ' ' ILE . 38.8 m-20 59.46 101.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 42.6 t -174.92 103.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.038 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 115.7 -168.4 12.64 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.143 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 69.93 5.47 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.479 1.778 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 46.0 p -93.97 138.34 32.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.7 t -81.12 148.79 29.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.5 p -160.39 86.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 62.08 96.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.966 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.35 -172.04 34.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.512 1.133 . . . . 0.0 110.974 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -122.48 143.5 49.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.994 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.3 t -161.69 94.79 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.07 110.31 1.19 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -83.42 126.47 32.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 0.723 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -77.35 -59.44 2.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -149.39 151.48 33.68 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 177.12 9.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.452 1.764 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -48.44 -45.42 36.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 85.4 p -83.11 118.02 23.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.005 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -70.57 -50.45 37.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -84.37 -56.79 3.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.527 ' O ' ' HB2' ' A' ' 17' ' ' ALA . . . 128.38 84.57 0.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 16' ' ' GLY . . . 174.3 125.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.785 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.499 ' HB ' HG23 ' A' ' 23' ' ' THR . 0.7 OUTLIER -163.89 161.0 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.497 ' HG2' ' CZ ' ' A' ' 22' ' ' TYR . 27.8 tpt85 -92.14 -71.18 0.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 21' ' ' ASN . 1.5 pt-20 176.73 -34.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.445 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -114.57 -33.92 5.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.599 ' CD2' ' SD ' ' A' ' 70' ' ' MET . 41.0 p90 -124.8 132.28 53.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.499 HG23 ' HB ' ' A' ' 18' ' ' VAL . 3.0 m -87.24 149.78 24.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.655 ' CE3' HD11 ' A' ' 108' ' ' ILE . 23.7 p-90 -155.64 169.41 24.39 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 p -153.63 150.23 28.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.952 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.691 ' OE1' HD11 ' A' ' 115' ' ' ILE . 3.7 pt20 -108.65 120.98 44.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -131.91 169.97 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.431 ' C ' HG23 ' A' ' 29' ' ' THR . 32.4 m-85 -87.67 45.92 1.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.431 HG23 ' C ' ' A' ' 28' ' ' TYR . 58.2 p -151.77 -50.21 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.374 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.3 p30 -172.69 177.39 2.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.432 HD21 ' CB ' ' A' ' 105' ' ' TRP . 3.2 mp -105.28 123.84 48.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -110.38 111.13 22.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.87 124.66 68.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 34' ' ' ARG . 8.4 mtm105 -118.19 134.25 55.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.541 HG21 HG11 ' A' ' 58' ' ' VAL . 57.5 t -111.11 133.49 21.3 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.01 139.96 24.85 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.55 1.816 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.478 ' CG1' HG23 ' A' ' 93' ' ' VAL . 28.7 m -125.05 158.55 62.83 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.537 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -74.98 177.65 8.3 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.527 1.804 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -86.14 12.09 10.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.537 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 6.9 p-80 -113.5 -3.0 13.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.621 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.472 HG23 ' HG2' ' A' ' 38' ' ' PRO . 24.5 t -104.21 112.44 37.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.514 HG12 ' CB ' ' A' ' 89' ' ' PRO . 18.6 m -132.22 -41.8 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -77.81 148.38 34.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.5 -11.29 85.62 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.82 -13.2 57.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.763 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -86.06 3.96 40.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -138.62 143.8 31.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.63 129.4 56.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.733 HG21 ' CE3' ' A' ' 85' ' ' TRP . 91.0 t -132.27 119.1 38.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -115.73 123.72 49.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.331 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 66.6 mt -125.81 132.78 52.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.666 ' O ' HG21 ' A' ' 80' ' ' THR . 58.4 m -133.67 -57.89 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.032 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 52' ' ' SER . 26.0 t 173.76 -51.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.934 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.1 p -123.17 39.11 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.411 ' N ' HD12 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -161.99 146.06 12.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.994 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -144.66 151.37 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.994 ' N ' HD13 ' A' ' 56' ' ' ILE . 3.5 ttt180 -142.08 136.24 29.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.644 HG23 ' CD1' ' A' ' 56' ' ' ILE . 15.0 t -140.65 100.57 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -125.16 158.34 34.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.473 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -138.06 143.75 40.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 12.9 mt -77.67 129.71 35.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -93.63 -71.86 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.21 -67.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.279 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -90.49 -7.7 52.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -162.98 -134.88 1.72 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.472 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -156.57 -177.45 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 0.799 . . . . 0.0 110.269 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.0 ttt180 -149.52 139.38 21.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.403 ' CG1' ' HB2' ' A' ' 71' ' ' GLU . 74.1 t -89.29 97.16 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.473 HD21 ' HG2' ' A' ' 60' ' ' MET . 43.8 mt -59.5 -59.23 5.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.599 ' SD ' ' CD2' ' A' ' 22' ' ' TYR . 18.5 ttt -133.08 131.79 40.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' HB2' ' CG1' ' A' ' 68' ' ' VAL . 9.2 tm-20 -161.33 153.06 19.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.809 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 149.22 150.34 5.2 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 110.95 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.87 126.05 28.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.744 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 108' ' ' ILE . 17.2 mt -60.99 158.11 14.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.4 p -72.19 -37.0 69.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -133.49 -174.68 3.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.596 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -90.41 171.86 9.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.411 ' C ' HG13 ' A' ' 100' ' ' VAL . 1.8 pp -146.67 -171.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -114.35 74.83 0.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.666 HG21 ' O ' ' A' ' 52' ' ' SER . 82.8 p -40.64 -38.64 0.92 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.435 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -58.51 -50.85 72.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.5 m -77.24 -22.75 51.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.9 m -74.81 159.04 32.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -151.4 179.45 8.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.733 ' CE3' HG21 ' A' ' 49' ' ' VAL . 3.7 p-90 -164.4 127.22 2.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 107.996 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.1 p -125.45 139.42 53.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.836 HD22 ' H ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -101.25 139.9 36.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.836 ' H ' HD22 ' A' ' 87' ' ' LEU . 3.4 mt-10 -119.23 133.4 23.74 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.514 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -75.03 124.75 8.84 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.02 45.88 85.92 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.08 -101.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -160.93 177.0 10.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 108.324 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.628 HG22 HD23 ' A' ' 87' ' ' LEU . 61.3 t -101.25 134.72 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.514 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.9 tm? -102.36 132.58 48.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.514 ' N ' HD13 ' A' ' 94' ' ' LEU . 93.4 t -139.08 124.99 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.446 ' O ' HD23 ' A' ' 97' ' ' LEU . 2.2 m-80 -112.56 127.12 55.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 96' ' ' ASN . 16.2 mt -115.63 118.65 33.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.12 111.49 23.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.559 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 21.8 mttt -58.06 142.42 46.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.411 HG13 ' C ' ' A' ' 78' ' ' ILE . 18.5 m -88.75 44.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 128.23 175.23 14.0 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.498 1.124 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.4 94.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 110.287 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -128.51 155.87 44.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 16.6 t-105 -104.61 118.35 36.37 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.559 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 13.8 m95 -98.97 125.29 44.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 108.042 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -109.33 -1.59 18.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.47 ' HB1' ' HB3' ' A' ' 112' ' ' GLU . . . -175.56 161.66 2.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.655 HD11 ' CE3' ' A' ' 24' ' ' TRP . 8.6 mm -85.96 -45.51 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.809 HD13 ' HA3' ' A' ' 72' ' ' GLY . 42.6 mt -113.28 162.1 16.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -71.53 -14.84 62.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -77.89 -39.56 23.96 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.47 ' HB3' ' HB1' ' A' ' 107' ' ' ALA . 51.1 tt0 -71.04 105.91 3.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.773 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -41.26 156.41 0.21 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 112.45 3.56 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.691 HD11 ' OE1' ' A' ' 26' ' ' GLN . 41.3 pt -46.58 158.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.08 94.18 4.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 2.0 pp -74.62 -3.67 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.1 t70 52.85 98.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.4 t -56.06 95.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -153.79 165.24 31.51 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.51 1.132 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 102.54 1.6 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.79 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.4 m 56.17 170.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 67.2 m -119.21 151.65 38.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.017 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.94 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.57 161.48 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 110.009 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 p -160.15 115.21 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.98 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.21 165.45 14.62 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.444 1.09 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.2 m -112.4 -58.81 2.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 0.735 . . . . 0.0 110.051 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 p 45.09 79.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.024 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.86 -149.72 21.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -123.7 -59.91 1.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -129.49 117.9 21.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -124.28 147.42 54.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 173.71 14.03 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.49 1.784 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.69 -52.25 9.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.07 147.73 45.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -54.09 158.28 2.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -40.56 110.32 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -171.28 -119.75 0.52 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.32 110.31 4.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.747 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.3 m -100.28 -172.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -177.28 147.39 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -68.86 -26.13 64.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -72.94 -53.92 10.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 25.9 p90 -165.22 131.96 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 m -86.92 148.99 25.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 110.45 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.517 ' CG ' HG13 ' A' ' 108' ' ' ILE . 16.1 p-90 -159.78 162.34 34.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 107.963 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 82.0 p -152.58 175.97 12.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -136.72 111.99 9.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 29' ' ' THR . 0.2 OUTLIER -131.2 141.49 50.05 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 57.44 -83.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.7 t -167.08 53.64 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.42 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -154.0 164.86 37.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.49 HD21 ' HB3' ' A' ' 105' ' ' TRP . 1.8 mp -123.94 110.87 15.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.57 109.22 21.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.37 132.42 67.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.82 133.06 55.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.422 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 44.1 t -111.35 129.24 24.27 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 137.88 22.32 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.1 m -123.66 158.59 58.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.563 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -74.94 176.84 9.36 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.782 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -86.27 13.38 8.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.563 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 6.3 p-80 -113.73 -3.9 13.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.576 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.493 HG23 ' HG2' ' A' ' 38' ' ' PRO . 38.1 t -103.8 110.59 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.5 HG12 ' CB ' ' A' ' 89' ' ' PRO . 15.7 m -128.62 -40.7 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -79.23 156.13 28.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.8 -26.01 57.04 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -10.77 60.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -86.21 -2.29 58.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -139.53 134.01 38.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.6 124.23 41.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.713 HG21 ' CE3' ' A' ' 85' ' ' TRP . 77.1 t -127.32 116.21 43.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.47 ' HB3' ' CB ' ' A' ' 57' ' ' ARG . . . -114.86 108.22 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.6 mt -93.71 126.62 38.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.76 148.52 47.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 77' ' ' LYS . 1.6 m -51.22 -29.37 14.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.4 ' C ' ' OG ' ' A' ' 55' ' ' SER . 3.1 p -149.73 61.19 1.0 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.057 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.4 ' OG ' ' C ' ' A' ' 54' ' ' SER . 0.0 OUTLIER 168.63 138.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 1.036 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -135.84 148.91 27.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 1.036 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -136.74 129.37 30.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.74 HG23 ' CD1' ' A' ' 56' ' ' ILE . 88.1 t -132.68 133.16 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.424 ' O ' ' HA ' ' A' ' 47' ' ' VAL . . . -159.36 149.85 19.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.53 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -128.14 132.32 48.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.475 ' O ' ' CE ' ' A' ' 60' ' ' MET . 7.9 mt -62.52 138.09 58.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -107.16 -174.64 2.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -68.34 -33.92 75.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -135.94 57.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.75 -135.03 7.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.01 178.94 9.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -149.65 143.41 25.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.323 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 58' ' ' VAL . 57.3 t -94.41 98.49 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.576 1.173 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.53 HD21 ' HG2' ' A' ' 60' ' ' MET . 29.1 mt -62.88 -53.55 52.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.416 ' O ' ' N ' ' A' ' 58' ' ' VAL . 24.7 ttt -137.93 154.33 49.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.419 ' CG ' ' N ' ' A' ' 72' ' ' GLY . 45.3 tt0 170.68 154.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.419 ' N ' ' CG ' ' A' ' 71' ' ' GLU . . . 147.54 159.52 8.42 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.16 121.01 22.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 0.777 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.503 HD23 HD23 ' A' ' 109' ' ' LEU . 53.9 mt -57.94 164.45 2.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.4 p -73.27 -47.19 45.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -127.87 174.72 8.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.608 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 53' ' ' SER . 19.9 mmtt -70.37 169.01 14.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.535 HD12 ' N ' ' A' ' 79' ' ' ASN . 2.0 pp -145.88 -166.84 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.535 ' N ' HD12 ' A' ' 78' ' ' ILE . 3.3 t-20 -120.35 89.27 3.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.419 HG23 ' HA ' ' A' ' 53' ' ' SER . 38.7 p -62.32 -24.36 67.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.402 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -70.48 -52.52 21.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.8 m -74.81 -30.69 61.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.7 m -64.22 160.9 17.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.13 . . . . 0.0 109.966 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 1.1 pp -151.95 179.35 8.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.713 ' CE3' HG21 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -164.57 123.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.2 m -124.43 129.06 49.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 110.006 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.851 HD22 ' H ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -90.0 140.65 29.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.851 ' H ' HD22 ' A' ' 87' ' ' LEU . 1.4 mt-10 -121.08 134.16 24.33 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.5 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.98 122.87 7.49 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.32 55.14 31.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.23 -100.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.2 p -164.51 177.43 8.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 108.241 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.52 HG22 HD23 ' A' ' 87' ' ' LEU . 72.5 t -103.86 129.89 55.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.42 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.6 tm? -103.53 129.98 50.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.686 HG22 ' HB2' ' A' ' 85' ' ' TRP . 76.7 t -135.98 144.92 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.618 ' O ' HD23 ' A' ' 97' ' ' LEU . 3.4 m-80 -125.53 129.59 50.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.618 HD23 ' O ' ' A' ' 96' ' ' ASN . 22.4 mt -121.32 122.93 40.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.52 99.06 10.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.563 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 8.8 ptpt -62.54 93.58 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.411 HG13 ' C ' ' A' ' 78' ' ' ILE . 18.1 m -44.73 145.2 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 56.9 -151.61 25.48 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.75 93.75 4.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' A' ' 103' ' ' TYR . 8.4 m-85 -129.27 144.15 51.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.603 ' O ' ' CE3' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -73.93 128.88 36.68 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.563 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 17.0 m95 -112.25 87.73 2.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 107.993 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.576 ' O ' ' HB2' ' A' ' 107' ' ' ALA . 4.4 m-20 -95.16 23.76 5.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 106' ' ' ASN . . . 171.49 138.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.517 HG13 ' CG ' ' A' ' 24' ' ' TRP . 5.2 mm -72.18 -54.15 17.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.503 HD23 HD23 ' A' ' 74' ' ' LEU . 34.9 mt -102.39 163.66 12.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -15.61 59.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 110.324 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -75.64 -25.06 68.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.133 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -89.96 118.82 29.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -52.65 165.39 0.55 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 107.71 2.55 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 14.2 pt -44.66 167.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.07 -32.67 6.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 1.8 mp -64.04 120.47 10.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.7 t0 57.47 94.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 75.0 m -72.53 -60.38 2.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -141.7 157.52 26.3 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -53.94 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 30.9 t 63.37 83.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.046 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.1 m -129.35 -58.21 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.438 1.086 . . . . 0.0 111.043 -179.947 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t 65.58 147.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.768 . . . . 0.0 109.991 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 m -46.26 158.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.55 69.72 1.34 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.559 1.162 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -148.51 105.81 3.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 0.0 110.006 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 p -91.8 111.77 23.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.052 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.53 62.1 2.99 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -95.07 109.51 21.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.766 . . . . 0.0 110.334 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.52 -52.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -51.9 139.19 32.8 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.49 ' O ' ' CB ' ' A' ' 12' ' ' ASP . 18.3 Cg_endo -74.98 -1.39 11.16 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.796 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 11' ' ' PRO . 5.7 t0 80.66 122.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.4 p -172.32 84.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.953 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -95.99 57.39 1.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -177.52 171.11 1.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -100.44 42.54 1.93 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -175.79 110.0 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.3 m -118.61 163.6 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.153 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.01 14.43 2.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 66.04 -78.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 69' ' ' LEU . 44.3 t30 -44.14 -50.96 8.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 30.2 p90 -154.45 130.48 10.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -87.09 154.77 20.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.42 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.486 ' CG ' HG13 ' A' ' 108' ' ' ILE . 16.3 p-90 -161.18 163.84 30.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 108.025 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.8 p -152.76 177.14 11.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -142.56 119.77 11.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -133.63 132.67 41.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.242 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 65.16 -70.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.7 OUTLIER -179.19 59.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.436 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -151.99 170.23 20.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mp -133.17 101.11 5.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.79 109.59 21.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.403 HG21 ' SD ' ' A' ' 70' ' ' MET . 0.2 OUTLIER -112.91 125.39 70.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -111.08 129.74 55.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.584 HG21 HG11 ' A' ' 58' ' ' VAL . 10.2 t -110.92 133.03 21.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -74.98 139.61 24.53 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.466 1.772 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.469 ' CG1' HG23 ' A' ' 93' ' ' VAL . 31.2 m -123.69 159.11 57.15 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.594 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.1 Cg_endo -75.07 176.54 9.79 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.481 1.779 . . . . 0.0 110.968 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.8 mmtt -84.95 9.61 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.594 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 4.8 p-80 -108.98 -3.78 17.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.623 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.477 HG23 ' CD2' ' A' ' 40' ' ' HIS . 25.8 t -103.23 111.4 32.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.508 HG12 ' CB ' ' A' ' 89' ' ' PRO . 31.4 m -137.29 13.7 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -137.63 159.78 41.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -80.12 -34.27 30.36 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.561 1.163 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.5 -17.04 63.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.759 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -80.49 -11.85 59.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -131.95 131.33 61.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.43 120.54 33.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.848 HG11 ' CG ' ' A' ' 85' ' ' TRP . 39.4 t -125.11 114.83 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.527 ' HB3' ' HB3' ' A' ' 57' ' ' ARG . . . -114.22 109.17 17.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.2 mt -92.07 121.12 33.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.16 148.5 50.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.993 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 78' ' ' ILE . 0.8 OUTLIER -51.34 -28.69 13.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.992 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 56.3 p -150.21 58.35 0.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 170.59 138.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 1.003 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -135.63 148.98 28.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 1.003 ' N ' HD13 ' A' ' 56' ' ' ILE . 27.6 ttt180 -134.26 133.4 40.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.322 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.618 HG23 ' CD1' ' A' ' 56' ' ' ILE . 22.2 t -134.68 122.56 39.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.452 ' HB2' HG22 ' A' ' 68' ' ' VAL . . . -148.46 158.6 44.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.255 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.506 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -137.17 145.02 43.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.506 ' O ' ' CE ' ' A' ' 60' ' ' MET . 16.6 mt -78.04 128.77 34.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -93.09 -72.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -162.66 -67.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -87.7 -6.73 58.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -166.49 -133.94 1.61 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.469 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -156.04 175.13 14.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.737 . . . . 0.0 110.304 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -141.39 136.87 31.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.712 HG11 ' OE1' ' A' ' 71' ' ' GLU . 69.7 t -88.06 99.18 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.447 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 38.3 mt -61.51 -59.92 4.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.403 ' SD ' HG21 ' A' ' 33' ' ' VAL . 13.4 ttt -127.57 145.97 50.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.712 ' OE1' HG11 ' A' ' 68' ' ' VAL . 1.4 tt0 -173.09 155.01 2.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.662 ' O ' HD22 ' A' ' 109' ' ' LEU . . . 145.64 150.4 5.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -72.59 119.06 16.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 0.777 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.468 HD23 HD23 ' A' ' 109' ' ' LEU . 53.1 mt -48.59 170.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.4 p -86.89 -40.08 15.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.498 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 4.9 m-70 -125.86 174.33 8.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -80.08 156.66 26.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.465 HD11 HG22 ' A' ' 80' ' ' THR . 1.9 pp -134.54 -172.74 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -119.17 88.42 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.465 HG22 HD11 ' A' ' 78' ' ' ILE . 68.0 p -58.12 -16.61 13.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.404 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -76.47 -44.72 34.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.81 -18.45 27.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.049 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.3 m -74.37 160.09 31.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.985 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.3 OUTLIER -155.21 179.52 9.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.848 ' CG ' HG11 ' A' ' 49' ' ' VAL . 2.6 p-90 -162.26 137.06 6.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 108.01 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.1 m -127.4 153.7 45.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.992 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.922 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.6 OUTLIER -116.28 146.48 42.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.922 ' H ' HD22 ' A' ' 87' ' ' LEU . 9.2 mt-10 -127.23 135.48 27.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.508 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.1 Cg_endo -75.05 119.18 5.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 58.27 49.33 77.01 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -149.13 -99.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.2 p -163.75 173.64 12.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.313 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.469 HG23 ' CG1' ' A' ' 37' ' ' VAL . 75.7 t -99.78 143.46 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.586 HD13 ' N ' ' A' ' 95' ' ' VAL . 2.4 tm? -111.12 132.19 54.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.586 ' N ' HD13 ' A' ' 94' ' ' LEU . 74.4 t -134.78 128.41 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.589 ' O ' HD23 ' A' ' 97' ' ' LEU . 2.9 m-80 -113.2 126.96 56.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 96' ' ' ASN . 21.4 mt -120.58 119.31 32.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.94 117.82 33.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.513 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 24.3 mttt -61.65 141.84 57.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.403 HG13 ' HA ' ' A' ' 78' ' ' ILE . 24.6 m -94.51 45.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 133.02 -141.92 13.37 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -125.11 94.62 4.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -127.72 155.65 43.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -81.71 115.57 21.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 107.979 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.513 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 10.7 m95 -99.27 -70.25 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 107.969 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.503 ' OD1' ' CB ' ' A' ' 114' ' ' PRO . 0.6 OUTLIER 79.56 -54.59 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -124.62 160.23 28.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.486 HG13 ' CG ' ' A' ' 24' ' ' TRP . 6.2 mm -77.05 -54.21 13.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.662 HD22 ' O ' ' A' ' 72' ' ' GLY . 30.1 mt -107.3 169.78 8.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -76.7 156.69 32.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 88.13 -56.15 4.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -40.67 115.55 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 0.77 . . . . 0.0 110.334 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -38.42 148.62 0.23 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.503 ' CB ' ' OD1' ' A' ' 106' ' ' ASN . 18.3 Cg_endo -74.98 131.97 14.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.54 1.811 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.484 HD12 HG13 ' A' ' 117' ' ' ILE . 39.3 pt -58.27 157.38 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -92.84 73.65 4.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.484 HG13 HD12 ' A' ' 115' ' ' ILE . 6.2 mm -116.81 133.68 62.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -132.42 136.05 46.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.71 154.64 40.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -162.55 -145.38 4.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -42.44 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.49 1.784 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.69 -57.55 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.0 t 54.08 103.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -131.08 91.78 3.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.752 . . . . 0.0 109.989 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 t 66.51 153.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.35 124.24 8.17 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.22 102.96 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 0.744 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -133.69 159.69 39.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.9 110.43 3.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -97.56 -66.62 0.89 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 0.777 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.17 70.78 0.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 177.58 122.8 0.18 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -54.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.527 1.804 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 179.06 164.16 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.8 p 40.11 82.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -133.77 -61.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -116.97 126.2 52.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 17' ' ' ALA . . . 52.44 173.99 0.04 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.417 1.073 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.707 ' O ' HG12 ' A' ' 18' ' ' VAL . . . 67.5 174.83 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 0.796 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.925 ' CG2' HG23 ' A' ' 23' ' ' THR . 10.6 p 50.35 173.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.6 ' H ' HG22 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -177.74 -177.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.94 74.57 9.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 175.91 -59.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 31.0 p90 -153.64 133.06 12.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.103 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.925 HG23 ' CG2' ' A' ' 18' ' ' VAL . 20.8 m -86.41 154.75 20.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.516 ' CG ' HG13 ' A' ' 108' ' ' ILE . 5.2 p-90 -159.26 161.9 36.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.0 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.0 m -150.84 158.25 43.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.967 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -112.24 126.69 55.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.365 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -113.81 176.32 5.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -37.3 -59.27 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 t -148.15 66.8 1.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.43 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.413 ' N ' ' HD2' ' A' ' 99' ' ' LYS . 0.7 OUTLIER 172.47 167.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.578 HD11 ' HE3' ' A' ' 99' ' ' LYS . 0.7 OUTLIER -133.42 158.55 42.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -144.15 106.34 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.41 122.54 68.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 0.0 OUTLIER -111.31 132.21 54.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.459 HG21 HG11 ' A' ' 58' ' ' VAL . 3.4 t -113.27 127.51 26.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 136.59 20.59 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.9 m -120.41 158.51 50.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.547 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.1 Cg_endo -75.06 177.39 8.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 110.963 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.71 12.61 8.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.547 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 8.2 p-80 -114.7 -2.86 12.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.473 1.108 . . . . 0.0 109.61 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.458 HG23 ' HG2' ' A' ' 38' ' ' PRO . 17.4 t -103.89 111.06 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.524 HG12 ' CB ' ' A' ' 89' ' ' PRO . 15.5 m -130.78 -41.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.64 152.09 28.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.61 -7.74 87.78 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.448 1.093 . . . . 0.0 111.045 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -83.04 -13.45 55.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 0.769 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 61' ' ' LEU . 3.2 mt-30 -83.49 -21.9 32.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -114.79 149.57 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 109.309 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.08 134.13 55.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.664 HG21 ' CE3' ' A' ' 85' ' ' TRP . 55.6 t -133.16 130.83 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -126.94 123.42 37.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.8 mt -122.88 121.83 37.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.558 ' O ' HG21 ' A' ' 80' ' ' THR . 1.9 m -123.64 -65.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 52' ' ' SER . 93.1 p 177.64 -50.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.97 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.05 33.74 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.966 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.4 151.62 30.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.837 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -150.6 148.09 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.837 ' N ' HD13 ' A' ' 56' ' ' ILE . 2.7 ttt180 -143.81 133.72 24.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.701 HG23 HD11 ' A' ' 56' ' ' ILE . 43.1 t -137.08 107.38 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.498 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -128.47 159.36 35.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.464 ' CE ' ' O ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -139.93 144.96 37.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.464 ' O ' ' CE ' ' A' ' 60' ' ' MET . 8.2 mt -74.58 129.2 37.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -96.51 -62.53 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -168.38 -78.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.56 -11.77 59.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -157.05 -133.4 1.6 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.462 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 1.3 pm0 -156.94 175.91 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.423 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 26.7 ttp180 -138.45 147.15 42.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 79.8 t -97.88 97.18 5.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.8 mt -59.79 -59.24 5.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.513 ' SD ' ' CG ' ' A' ' 22' ' ' TYR . 24.5 ttt -131.41 144.66 51.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 111.051 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.448 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 12.6 tm-20 -172.51 151.95 2.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.807 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 151.09 153.34 6.13 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.115 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -74.68 114.48 13.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.41 HD23 HD23 ' A' ' 109' ' ' LEU . 18.4 mt -47.11 170.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.1 p -85.26 -38.77 18.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -131.2 173.86 10.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.618 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -82.08 161.89 22.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 1.9 pp -138.03 -171.24 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 80' ' ' THR . 16.5 t-20 -116.96 78.08 1.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.558 HG21 ' O ' ' A' ' 52' ' ' SER . 49.0 p -37.35 -43.48 0.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -53.65 -54.39 38.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.9 -31.19 67.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.9 m -71.94 136.45 46.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.476 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -122.58 178.96 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.717 ' HB2' HG22 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -164.87 122.44 1.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 108.044 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.7 m -129.71 130.82 45.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.903 HD22 ' N ' ' A' ' 88' ' ' GLU . 0.7 OUTLIER -90.65 141.52 28.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.903 ' N ' HD22 ' A' ' 87' ' ' LEU . 4.8 mt-10 -119.48 133.63 23.8 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.524 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.0 126.79 10.2 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.445 1.761 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 52.81 42.56 59.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -142.14 -104.59 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.4 p -164.08 177.03 8.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 108.278 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 35' ' ' VAL . 79.0 t -99.06 145.0 11.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.748 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.4 tm? -125.8 127.99 46.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.748 ' N ' HD13 ' A' ' 94' ' ' LEU . 74.4 t -136.36 140.84 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.474 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 1.8 m-80 -117.1 123.69 47.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.237 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.4 mt -105.77 113.88 27.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.42 101.8 14.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.578 ' HE3' HD11 ' A' ' 31' ' ' LEU . 12.6 mttt -55.47 140.33 40.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 26.1 m -89.93 43.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 141.81 169.54 12.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -71.42 94.2 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -128.89 156.16 44.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.463 ' CG ' ' O ' ' A' ' 104' ' ' TRP . 17.4 p90 -105.46 93.41 4.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 107.999 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.544 ' CB ' HD21 ' A' ' 31' ' ' LEU . 9.4 m95 -69.52 88.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -55.8 -20.6 15.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.435 ' HA ' ' CZ2' ' A' ' 24' ' ' TRP . . . -161.49 -175.91 5.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.516 HG13 ' CG ' ' A' ' 24' ' ' TRP . 6.9 mm -97.18 -47.67 12.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.807 HD13 ' HA3' ' A' ' 72' ' ' GLY . 59.4 mt -109.21 174.02 6.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -81.5 -18.17 46.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -103.74 48.14 1.04 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -133.74 170.77 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 110.28 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -88.58 144.37 33.47 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.345 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -175.3 2.29 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.506 1.793 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 20.4 pt -132.11 -174.69 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -165.25 115.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.249 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 117' ' ' ILE . 5.9 mm -46.62 128.25 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -112.2 -45.41 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 53.9 p -72.14 124.33 24.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.019 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -168.55 -145.01 4.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 141.1 26.19 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 18.3 m -60.06 93.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.955 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.1 m -145.57 110.81 5.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.028 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 110.942 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.5 m 62.19 108.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 110.015 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.02 -58.49 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.045 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.74 -137.61 7.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.113 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.93 129.9 0.24 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 0.765 . . . . 0.0 109.97 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 m -82.64 160.11 22.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.28 89.92 0.19 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.558 1.161 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -157.13 87.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt 64.9 163.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -82.42 139.57 44.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 175.59 11.04 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.513 1.797 . . . . 0.0 111.027 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.32 -54.01 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.1 p -93.72 -64.34 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.0 t80 46.0 90.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.8 m120 59.8 166.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.45 131.24 3.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.22 121.61 7.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.2 m -97.17 -172.02 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.44 153.65 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -76.04 -10.9 59.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.477 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 7.9 t30 -91.4 -53.58 4.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.477 ' CD2' ' HB3' ' A' ' 21' ' ' ASN . 30.7 p90 -157.32 135.36 10.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -86.43 142.83 28.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.561 ' CZ2' ' HA ' ' A' ' 107' ' ' ALA . 19.0 p-90 -152.9 160.07 43.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 108.035 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.1 m -147.9 162.55 39.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -118.81 130.98 56.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -117.42 179.5 4.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -39.72 -59.0 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 111.05 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 29' ' ' THR . 6.8 t -151.05 75.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.377 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 165.97 142.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mp -113.9 152.6 30.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.443 ' OE2' HD21 ' A' ' 94' ' ' LEU . 2.1 tt0 -148.74 118.05 6.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.342 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -123.63 130.93 73.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.572 ' CZ ' HD23 ' A' ' 94' ' ' LEU . 36.9 mtt85 -114.62 131.71 56.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.574 HG21 HG11 ' A' ' 58' ' ' VAL . 56.8 t -113.21 131.68 22.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.03 141.53 26.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 110.956 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.543 HG11 HG23 ' A' ' 93' ' ' VAL . 28.4 m -126.52 158.43 67.47 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.498 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.06 177.08 9.08 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.457 1.767 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -84.78 10.05 12.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.498 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 4.1 p-80 -111.14 -3.21 15.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.605 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.443 HG23 ' HG2' ' A' ' 38' ' ' PRO . 13.5 t -102.83 111.25 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.561 HG12 ' CB ' ' A' ' 89' ' ' PRO . 22.2 m -133.47 -41.88 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -84.02 127.84 34.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -50.41 -29.56 17.09 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.93 -13.09 43.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -80.31 -14.26 58.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.245 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -129.43 156.37 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -118.11 139.91 50.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.843 HG21 ' CE3' ' A' ' 85' ' ' TRP . 39.6 t -137.3 135.54 47.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.412 ' HB3' ' HB2' ' A' ' 57' ' ' ARG . . . -132.8 124.26 27.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.0 mt -123.72 117.26 24.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.613 ' O ' HG21 ' A' ' 80' ' ' THR . 0.1 OUTLIER -121.07 -64.09 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' ' 52' ' ' SER . 79.8 p 176.48 -52.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.033 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.84 36.15 4.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.4 147.33 20.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 1.013 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -142.98 150.83 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 1.013 ' N ' HD13 ' A' ' 56' ' ' ILE . 1.1 ttt180 -139.69 131.71 27.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.628 HG23 ' CD1' ' A' ' 56' ' ' ILE . 10.7 t -140.9 104.77 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.536 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -130.44 157.66 42.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.527 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -138.47 143.84 39.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.496 ' O ' ' CE ' ' A' ' 60' ' ' MET . 14.0 mt -77.37 132.33 38.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -95.86 -68.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -164.4 -67.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -92.21 -6.31 50.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -162.17 -135.12 1.76 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.474 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 1.7 pm0 -158.29 176.59 12.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 0.78 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -142.05 139.26 32.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.8 t -88.15 97.2 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.527 HD21 ' HG2' ' A' ' 60' ' ' MET . 43.1 mt -60.36 -55.42 33.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 58' ' ' VAL . 17.3 ttt -141.68 145.14 34.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 72' ' ' GLY . 59.3 tt0 -179.01 158.04 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.49 ' O ' HD22 ' A' ' 109' ' ' LEU . . . 142.36 157.22 7.07 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -65.64 126.93 29.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.2 mt -66.44 162.42 20.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 109' ' ' LEU . 44.4 p -71.33 -42.51 68.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.439 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.569 ' CD2' ' CD1' ' A' ' 103' ' ' TYR . 43.0 m80 -128.56 -176.11 3.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.591 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 53' ' ' SER . 37.4 mttt -88.59 170.63 10.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.413 ' CG2' ' CZ2' ' A' ' 105' ' ' TRP . 2.3 pp -150.42 164.99 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.364 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 82' ' ' SER . 1.2 t-20 -95.76 77.93 3.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.613 HG21 ' O ' ' A' ' 52' ' ' SER . 69.9 p -38.2 -34.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.419 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -56.67 -53.26 59.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 79' ' ' ASN . 5.2 m -74.37 -28.26 61.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.2 m -68.93 142.79 54.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -136.7 179.49 6.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.843 ' CE3' HG21 ' A' ' 49' ' ' VAL . 1.1 p-90 -165.19 127.23 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.6 p -129.86 129.24 43.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.855 HD23 HG22 ' A' ' 93' ' ' VAL . 0.9 OUTLIER -90.46 140.54 29.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.855 ' H ' HD22 ' A' ' 87' ' ' LEU . 1.4 mt-10 -119.57 133.43 23.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.26 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.561 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.98 122.61 7.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.459 1.768 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 57.16 48.96 75.83 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -151.36 -101.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -161.68 176.22 11.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 108.318 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.855 HG22 HD23 ' A' ' 87' ' ' LEU . 53.7 t -108.53 123.31 64.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.767 HD13 ' C ' ' A' ' 94' ' ' LEU . 1.5 tm? -98.39 127.74 44.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.649 HG22 ' HB2' ' A' ' 85' ' ' TRP . 69.7 t -131.66 116.77 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.04 128.64 44.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.2 mt -111.83 136.95 50.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.2 t -94.07 152.07 19.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.531 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 18.6 mttt -89.32 139.54 30.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 23.3 t -128.21 93.27 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.81 158.43 30.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -69.57 94.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.569 ' CD1' ' CD2' ' A' ' 76' ' ' HIS . 20.2 m-85 -128.58 155.39 45.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 26.2 p90 -100.43 99.16 9.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 108.032 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.531 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 31.9 m95 -74.17 83.56 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.013 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -73.91 -5.07 38.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.903 ' HB1' ' HG2' ' A' ' 112' ' ' GLU . . . -177.23 -172.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.462 HD11 ' CE3' ' A' ' 24' ' ' TRP . 4.9 mm -100.94 -53.22 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.49 HD22 ' O ' ' A' ' 72' ' ' GLY . 78.2 mt -102.94 -177.11 3.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -94.89 -27.84 15.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 112' ' ' GLU . . . -66.58 -37.88 92.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.06 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.903 ' HG2' ' HB1' ' A' ' 107' ' ' ALA . 0.2 OUTLIER -52.74 -172.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.31 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -110.72 140.96 23.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.348 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 119.2 5.55 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.9 pt -73.51 172.01 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 117' ' ' ILE . 1.0 OUTLIER -88.38 75.94 8.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.75 HG22 ' H ' ' A' ' 118' ' ' ASP . 1.9 mm 44.87 -168.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.75 ' H ' HG22 ' A' ' 117' ' ' ILE . 0.9 OUTLIER -66.22 -55.22 17.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.5 p 52.82 174.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -149.85 148.56 19.97 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 122' ' ' SER . 18.5 Cg_endo -74.97 56.93 4.38 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.454 1.765 . . . . 0.0 111.025 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 121' ' ' PRO . 0.3 OUTLIER 38.86 80.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.02 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.14 93.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.5 t -134.02 152.55 51.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 109.993 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -146.7 84.85 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.55 126.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.071 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.5 p -148.35 97.62 2.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -128.5 -58.93 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.61 62.3 6.48 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -71.72 112.34 7.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 110.305 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.02 140.47 53.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -156.3 143.72 13.87 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -46.98 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.54 1.811 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -147.69 -56.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.1 t -148.83 80.34 1.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -46.92 -56.67 5.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.58 100.98 4.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.85 -179.14 48.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.59 133.23 53.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.0 t -147.94 138.16 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.05 166.97 23.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.38 56.12 3.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 110.271 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -148.99 -58.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.546 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 38.4 p90 -164.79 130.3 2.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.8 m -87.02 148.99 25.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.505 ' CD2' HG12 ' A' ' 108' ' ' ILE . 5.5 p-90 -146.78 161.91 39.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 107.952 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.465 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 8.4 p -147.91 169.51 19.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.986 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -126.03 140.36 52.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.358 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.462 ' OD1' ' CB ' ' A' ' 30' ' ' ASP . 0.9 OUTLIER -132.75 -179.18 5.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 27' ' ' ASP . 3.1 m-85 -37.12 -62.23 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.9 p -148.95 75.92 1.32 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.383 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.462 ' CB ' ' OD1' ' A' ' 27' ' ' ASP . 0.2 OUTLIER 166.96 162.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.504 HD11 ' HE3' ' A' ' 99' ' ' LYS . 1.9 mp -128.49 145.34 51.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -129.63 113.11 14.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -122.83 117.04 50.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -106.85 126.54 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.685 HG21 HG11 ' A' ' 58' ' ' VAL . 58.5 t -106.81 130.19 23.26 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.99 139.03 23.83 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.491 1.785 . . . . 0.0 110.956 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.427 ' CG1' HG23 ' A' ' 93' ' ' VAL . 32.6 m -123.83 159.18 57.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.48 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.03 176.98 9.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -85.92 12.38 9.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.48 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 4.4 p-80 -113.38 -3.74 13.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.606 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.438 HG23 ' HG2' ' A' ' 38' ' ' PRO . 12.1 t -101.48 103.67 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.525 HG12 ' CB ' ' A' ' 89' ' ' PRO . 12.1 m -125.46 -39.21 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -82.19 139.49 34.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.73 -1.57 58.9 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -10.81 35.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 0.804 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -94.88 17.7 13.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.14 129.21 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.35 121.14 41.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 110.049 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.57 HG21 ' CZ3' ' A' ' 85' ' ' TRP . 42.7 t -128.56 131.6 68.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 57' ' ' ARG . . . -127.28 111.88 14.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.427 1.08 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.473 HD23 ' HA ' ' A' ' 51' ' ' LEU . 15.0 mt -92.05 117.87 30.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.498 ' C ' ' CG2' ' A' ' 80' ' ' THR . 4.7 m -117.05 168.69 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 77' ' ' LYS . 3.5 m -72.9 -33.37 65.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.9 p -138.47 38.93 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.991 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 m -167.83 173.98 7.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.995 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -164.36 153.52 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.142 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.995 ' N ' HD13 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -136.84 135.71 38.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.685 HG11 HG21 ' A' ' 35' ' ' VAL . 11.3 t -141.35 105.02 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 67' ' ' ARG . . . -132.13 155.01 48.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.481 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -132.22 137.94 47.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.422 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 14.4 mt -73.79 133.32 43.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -98.64 -65.0 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.66 -66.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -90.64 -7.23 53.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -163.94 -133.82 1.55 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.422 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -160.05 -178.25 6.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.785 . . . . 0.0 110.312 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 8.1 ttt180 -146.06 140.64 26.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.36 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.0 t -90.62 101.97 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.481 HD21 ' HG2' ' A' ' 60' ' ' MET . 33.4 mt -66.77 -48.55 68.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.511 ' HE3' HG21 ' A' ' 108' ' ' ILE . 20.1 ttt -145.16 133.11 21.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -164.29 149.59 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.737 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 148.55 158.36 7.97 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.28 139.67 50.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.476 HD23 HD23 ' A' ' 109' ' ' LEU . 16.1 mt -75.22 169.11 18.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.3 p -78.93 -45.09 21.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.386 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 38.4 m80 -126.61 161.15 28.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.609 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 53' ' ' SER . 6.4 mmtt -66.25 168.27 8.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' SER . 1.7 pp -147.56 -166.91 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.404 ' N ' HD12 ' A' ' 78' ' ' ILE . 6.7 t-20 -121.75 85.38 2.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.498 ' CG2' ' C ' ' A' ' 52' ' ' SER . 25.2 p -48.58 -40.86 28.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.435 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -55.44 -55.38 32.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.401 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 0.3 OUTLIER -71.51 -25.89 62.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.0 m -77.02 139.94 40.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' A' ' 96' ' ' ASN . 1.1 pp -137.33 179.17 6.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.732 ' HB2' HG22 ' A' ' 95' ' ' VAL . 5.6 p-90 -159.77 150.84 19.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 107.968 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.8 m -140.87 159.01 43.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.855 HD22 ' H ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -114.24 140.65 48.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.855 ' H ' HD22 ' A' ' 87' ' ' LEU . 6.1 mt-10 -122.45 133.44 24.4 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.525 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.93 119.0 5.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 57.31 50.6 63.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -149.85 -102.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 109.311 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -163.45 175.28 10.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 108.355 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.427 HG23 ' CG1' ' A' ' 37' ' ' VAL . 97.5 t -103.65 138.15 29.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.767 HD13 ' N ' ' A' ' 95' ' ' VAL . 2.1 tm? -110.3 134.55 52.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.767 ' N ' HD13 ' A' ' 94' ' ' LEU . 66.9 t -136.83 123.34 29.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.568 ' HB2' HD12 ' A' ' 84' ' ' LEU . 17.9 m120 -105.55 114.14 28.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.0 mt -103.12 120.28 40.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.401 ' CB ' ' HB3' ' A' ' 82' ' ' SER . 0.4 OUTLIER -97.85 125.63 42.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.512 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 15.5 mttt -76.52 149.65 36.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 17.1 m -92.37 42.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 143.9 -163.61 27.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -95.97 94.76 7.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 110.269 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -128.32 155.24 44.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.561 ' O ' ' CD1' ' A' ' 104' ' ' TRP . 0.0 OUTLIER -104.85 112.1 25.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 108.019 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.512 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 8.3 m95 -91.13 119.95 31.67 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -92.24 -16.72 25.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.452 ' HB1' ' HB3' ' A' ' 112' ' ' GLU . . . -165.49 157.6 15.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.511 HG21 ' HE3' ' A' ' 70' ' ' MET . 4.8 mm -76.6 -61.34 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.737 HD13 ' HA3' ' A' ' 72' ' ' GLY . 21.2 mt -97.56 156.97 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -66.97 -12.94 61.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -108.94 42.38 1.97 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.452 ' HB3' ' HB1' ' A' ' 107' ' ' ALA . 1.2 tp10 -134.71 123.36 23.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -43.63 144.39 1.37 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 165.75 30.68 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.791 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 35.9 pt -105.81 -179.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 117' ' ' ILE . 12.4 t0 -126.48 -56.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.507 HD12 ' H ' ' A' ' 118' ' ' ASP . 0.9 OUTLIER 35.28 -150.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.507 ' H ' HD12 ' A' ' 117' ' ' ILE . 10.8 m-20 -74.5 158.29 34.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.69 174.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.027 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 80.73 161.98 26.69 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 126.59 10.07 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.02 123.77 28.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -133.69 145.68 50.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.135 . . . . 0.0 110.947 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t 64.81 111.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.0 110.036 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.54 143.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.81 116.65 0.59 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.562 1.164 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t 52.45 88.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 0.774 . . . . 0.0 110.049 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 t -150.9 -58.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.69 65.61 0.74 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.115 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.66 111.47 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -164.54 -60.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 179.13 155.68 0.62 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -45.69 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -166.62 -52.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 t -177.52 120.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.985 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -106.72 85.27 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -174.29 -59.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 149.49 167.96 14.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 62.9 114.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 0.782 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 17' ' ' ALA . 51.6 t -155.95 136.58 4.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -135.16 163.15 30.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -91.21 56.8 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -157.67 -53.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.532 ' CG ' ' SD ' ' A' ' 70' ' ' MET . 48.0 p90 -160.93 130.63 4.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.9 m -86.93 156.24 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.557 ' CZ3' HD23 ' A' ' 31' ' ' LEU . 6.5 p-90 -163.41 163.88 24.81 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.3 m -151.41 159.79 44.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.026 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -112.9 132.14 55.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.336 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -113.94 177.87 4.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -43.72 -41.75 5.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.449 ' O ' HG23 ' A' ' 29' ' ' THR . 3.4 t -162.84 69.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 110.44 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 165.69 158.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.557 HD23 ' CZ3' ' A' ' 24' ' ' TRP . 1.0 OUTLIER -125.45 159.23 32.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -146.74 104.77 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.65 116.57 52.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 28.8 mtm180 -106.55 123.61 48.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.097 . . . . 0.0 110.271 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.591 HG21 HG11 ' A' ' 58' ' ' VAL . 95.1 t -104.38 133.12 20.37 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.94 137.12 21.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.565 ' CG1' HG23 ' A' ' 93' ' ' VAL . 32.9 m -122.78 158.78 55.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.5 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.97 179.11 6.39 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 0.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -86.91 12.9 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.5 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 5.3 p-80 -114.77 -3.72 12.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.589 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.458 HG23 ' HG2' ' A' ' 38' ' ' PRO . 16.3 t -102.07 109.81 27.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.515 HG12 ' CB ' ' A' ' 89' ' ' PRO . 15.8 m -130.04 -41.51 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.48 144.85 37.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.38 -2.73 84.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.549 1.156 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -15.91 28.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 0.755 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -83.18 7.92 14.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -140.65 140.31 33.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 m -106.44 139.33 41.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.624 HG21 ' CD2' ' A' ' 85' ' ' TRP . 78.9 t -138.96 119.97 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -113.32 120.12 40.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 51' ' ' LEU . 23.2 mt -119.07 124.2 46.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.701 ' O ' HG21 ' A' ' 80' ' ' THR . 17.1 m -128.38 -58.84 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.1 t 172.25 -59.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.003 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.0 p -114.7 31.43 6.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.969 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.28 145.02 22.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 1.01 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -142.83 151.59 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 1.01 ' N ' HD13 ' A' ' 56' ' ' ILE . 8.5 ttt180 -140.01 134.35 31.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.675 HG23 ' CD1' ' A' ' 56' ' ' ILE . 21.2 t -139.07 98.15 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 47' ' ' VAL . . . -122.97 151.45 41.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.577 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -128.79 145.12 51.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.405 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 11.8 mt -78.26 128.64 34.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 64' ' ' ASN . 6.8 mm-40 -106.97 38.22 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 66.42 -73.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 62' ' ' GLU . 3.3 m-20 -64.09 -32.02 73.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.85 -131.35 1.21 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -158.31 172.86 17.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 110.302 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -149.03 142.78 25.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.8 t -87.54 98.83 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.577 HD21 ' HG2' ' A' ' 60' ' ' MET . 37.2 mt -62.48 -54.62 37.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.532 ' SD ' ' CG ' ' A' ' 22' ' ' TYR . 20.5 ttt -139.15 133.57 31.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.443 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 9.5 tm-20 -162.73 152.08 15.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.443 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 151.49 159.28 8.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.23 112.77 14.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.774 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 108' ' ' ILE . 8.9 mt -48.42 172.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 108' ' ' ILE . 81.0 p -88.07 -38.96 15.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 105' ' ' TRP . 17.8 m80 -126.1 176.42 7.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.625 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -90.52 166.24 13.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.498 ' HA ' HG13 ' A' ' 100' ' ' VAL . 1.8 pp -140.48 -172.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 83' ' ' SER . 7.5 t-20 -111.79 79.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.701 HG21 ' O ' ' A' ' 52' ' ' SER . 80.2 p -47.55 -23.33 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.437 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -73.0 -41.9 63.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.46 ' N ' ' HG3' ' A' ' 81' ' ' GLU . 0.1 OUTLIER -94.25 -9.54 35.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.966 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 79' ' ' ASN . 3.8 m -82.27 149.76 27.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.015 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -145.72 179.78 7.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.768 ' HB2' HG22 ' A' ' 95' ' ' VAL . 7.6 p-90 -164.79 129.25 2.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 107.976 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.99 153.4 33.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.831 HD22 ' N ' ' A' ' 88' ' ' GLU . 1.1 tm? -114.0 139.02 49.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.153 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.831 ' N ' HD22 ' A' ' 87' ' ' LEU . 3.3 mm-40 -119.44 132.73 23.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.515 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.96 124.5 8.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.15 44.74 88.7 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -146.04 -101.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -162.87 166.54 23.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 108.284 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.766 HG22 HD23 ' A' ' 87' ' ' LEU . 88.0 t -92.36 142.6 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.788 HD13 ' N ' ' A' ' 95' ' ' VAL . 0.9 OUTLIER -113.91 131.94 56.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.788 ' N ' HD13 ' A' ' 94' ' ' LEU . 71.0 t -135.32 106.44 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -88.54 125.99 35.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 15.6 mt -112.73 116.56 30.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 m -92.19 109.24 20.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.484 ' HE2' ' CD1' ' A' ' 105' ' ' TRP . 28.9 mttt -55.21 145.35 21.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.498 HG13 ' HA ' ' A' ' 78' ' ' ILE . 30.2 m -91.25 42.44 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 128.52 -178.82 16.96 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -70.44 94.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.286 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -128.33 155.69 44.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -107.68 112.79 25.66 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.549 ' CZ2' ' HB2' ' A' ' 76' ' ' HIS . 14.3 m95 -95.6 126.99 41.26 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -107.31 -9.95 15.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -171.03 163.8 7.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.552 HD11 ' CE3' ' A' ' 24' ' ' TRP . 3.3 mm -88.42 -59.38 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.425 HD22 ' C ' ' A' ' 72' ' ' GLY . 69.8 mt -101.26 167.12 10.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -73.51 154.56 39.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.306 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.19 -48.69 4.08 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -39.86 114.33 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 0.78 . . . . 0.0 110.32 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -39.07 147.99 0.27 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 160.16 40.54 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.505 1.792 . . . . 0.0 110.969 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 22.5 pt -96.98 169.16 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -163.19 115.09 1.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.458 HD12 ' N ' ' A' ' 117' ' ' ILE . 1.9 mp -86.19 121.6 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -100.91 157.04 17.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.357 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.9 t -90.54 -61.17 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -85.36 157.36 31.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 114.91 4.14 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.479 1.778 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.5 t -123.31 155.86 36.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 m 178.97 97.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.057 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.08 106.44 2.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 0.786 . . . . 0.0 109.994 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.15 110.22 11.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.3 172.81 29.3 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -88.46 143.62 26.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.21 103.95 16.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.92 -103.58 0.18 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.45 1.094 . . . . 0.0 111.031 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 50.9 90.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 110.258 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.55 -65.57 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.96 138.77 20.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 178.43 7.26 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 111.057 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -90.87 78.36 6.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.52 ' HA ' HG11 ' A' ' 18' ' ' VAL . 0.3 OUTLIER 178.75 111.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 0.0 109.954 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -111.04 -174.25 2.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -70.45 155.06 41.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.17 -64.28 0.75 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.43 1.081 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.552 ' O ' HG22 ' A' ' 18' ' ' VAL . . . -56.4 179.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 17' ' ' ALA . 1.1 m 46.83 -176.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.401 ' N ' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER 177.55 -172.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -83.58 -41.61 17.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.29 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -48.44 -62.39 1.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 34.0 p90 -156.86 135.17 11.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 85.1 m -86.58 159.26 19.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.364 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.523 ' CD2' HG12 ' A' ' 108' ' ' ILE . 4.3 p-90 -162.67 161.34 26.46 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.99 175.63 12.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.014 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.92 108.1 4.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -133.08 142.79 48.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 60.85 -78.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 27' ' ' ASP . 1.4 t -176.26 53.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.0 p30 -152.47 174.47 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.561 HD21 ' CG ' ' A' ' 105' ' ' TRP . 0.4 OUTLIER -132.14 115.17 15.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.61 101.97 10.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -109.15 116.36 51.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.5 mtt180 -106.48 131.06 54.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 48.1 t -113.19 131.55 22.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.0 Cg_endo -75.04 142.66 28.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.523 1.801 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.489 HG11 HG23 ' A' ' 93' ' ' VAL . 28.0 m -127.65 158.67 69.35 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.622 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.2 Cg_endo -75.0 177.27 8.81 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -86.11 12.52 9.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.622 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 8.0 p-80 -113.63 -3.59 13.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.62 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.46 HG23 ' HG2' ' A' ' 38' ' ' PRO . 21.2 t -103.27 110.38 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.517 HG12 ' CB ' ' A' ' 89' ' ' PRO . 16.5 m -129.79 -41.34 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -79.35 147.15 32.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.44 -16.18 80.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.463 1.102 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.83 -13.77 59.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 0.742 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 61' ' ' LEU . 2.4 mt-30 -80.64 -15.77 55.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -124.17 143.42 37.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.1 m -105.49 137.58 43.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.045 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.885 HG21 ' CD2' ' A' ' 85' ' ' TRP . 47.3 t -133.85 103.99 5.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -108.26 112.65 25.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.412 ' HB3' HG22 ' A' ' 80' ' ' THR . 61.0 mt -112.3 136.58 51.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.592 ' O ' HG21 ' A' ' 80' ' ' THR . 24.7 m -127.52 -70.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.032 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 77' ' ' LYS . 95.1 p 179.3 -48.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 74' ' ' LEU . 5.4 p -119.68 31.51 6.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.6 t -162.1 173.84 13.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.017 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 1.015 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -165.06 156.47 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 1.015 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -138.54 130.57 28.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.662 HG23 ' CD1' ' A' ' 56' ' ' ILE . 19.8 t -136.53 97.42 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.486 ' O ' HG12 ' A' ' 47' ' ' VAL . . . -120.95 159.19 26.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.613 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -139.11 143.94 38.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 12.6 mt -76.55 132.71 39.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -97.59 -68.04 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.16 -69.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -90.47 -8.01 51.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.93 -136.07 1.94 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.474 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -157.24 -177.49 6.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 0.78 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 1.9 ttt180 -148.68 143.0 26.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.258 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.4 t -91.48 97.26 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.613 HD21 ' HG2' ' A' ' 60' ' ' MET . 51.4 mt -57.14 -60.11 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.534 ' HE1' HG21 ' A' ' 108' ' ' ILE . 25.4 ttt -132.09 144.72 50.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 14.2 tm-20 -175.77 148.61 0.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.552 ' O ' HD22 ' A' ' 109' ' ' LEU . . . 149.6 153.49 6.07 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -68.47 125.25 25.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 0.813 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.6 HD23 HD23 ' A' ' 109' ' ' LEU . 9.2 mt -64.92 174.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.7 p -83.13 -35.51 25.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.433 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.449 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 5.2 m-70 -132.67 176.7 8.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.576 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 53' ' ' SER . 16.3 mttp -87.41 159.98 18.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.467 HG23 ' CZ2' ' A' ' 105' ' ' TRP . 2.1 pp -136.56 176.69 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.705 ' CG ' HG12 ' A' ' 100' ' ' VAL . 40.3 m-20 -104.03 82.5 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.592 HG21 ' O ' ' A' ' 52' ' ' SER . 2.4 p -46.98 -27.92 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -71.11 -50.79 29.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.71 -19.73 58.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.9 m -78.86 161.23 26.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -150.78 179.63 8.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.885 ' CD2' HG21 ' A' ' 49' ' ' VAL . 2.6 p-90 -164.6 130.74 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.32 135.16 50.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.858 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -97.08 140.78 31.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.858 ' H ' HD22 ' A' ' 87' ' ' LEU . 15.2 mt-10 -120.14 133.4 23.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.517 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -74.93 124.3 8.56 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.94 46.68 83.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -148.61 -101.36 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -161.92 173.54 14.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 108.3 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.743 HG22 HD23 ' A' ' 87' ' ' LEU . 36.6 t -100.83 135.91 34.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.518 HD13 ' N ' ' A' ' 95' ' ' VAL . 2.2 tm? -105.46 132.38 51.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.612 HG22 ' HB2' ' A' ' 85' ' ' TRP . 72.9 t -137.36 119.31 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.511 ' ND2' HD11 ' A' ' 94' ' ' LEU . 4.4 m-80 -102.83 132.47 49.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.458 HD22 HD13 ' A' ' 78' ' ' ILE . 19.9 mt -120.4 118.05 29.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.83 109.54 22.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.957 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -55.27 141.55 35.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.705 HG12 ' CG ' ' A' ' 79' ' ' ASN . 35.1 m -92.21 41.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.31 175.24 13.81 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.137 . . . . 0.0 110.957 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -69.54 94.26 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 0.738 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -129.07 155.95 44.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 111.044 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.466 ' CG ' ' O ' ' A' ' 104' ' ' TRP . 13.7 p90 -111.98 93.01 4.24 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.561 ' CG ' HD21 ' A' ' 31' ' ' LEU . 10.6 m95 -73.27 84.88 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.025 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -58.7 -17.21 20.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -164.58 161.22 20.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.534 HG21 ' HE1' ' A' ' 70' ' ' MET . 15.2 mm -74.87 -60.58 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.6 HD23 HD23 ' A' ' 74' ' ' LEU . 34.5 mt -103.62 175.15 5.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -77.39 165.55 24.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 78.9 -54.64 4.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -39.86 114.57 0.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 110.292 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 114' ' ' PRO . 31.6 mt-10 -39.01 138.07 0.86 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 113' ' ' GLU . 18.4 Cg_endo -75.02 123.1 7.62 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.545 1.813 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 17.5 pt -45.3 167.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 117' ' ' ILE . 0.9 OUTLIER -91.13 79.22 5.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 116' ' ' ASP . 1.4 mp -39.64 115.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.46 -47.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.7 m 58.89 114.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.975 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -112.26 -146.17 9.98 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 122.09 7.01 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.74 161.77 20.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.39 80.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.76 -58.37 7.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 110.048 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.0 103.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.971 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.82 -90.49 0.08 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m -81.86 166.17 20.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.749 . . . . 0.0 110.055 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 m 62.86 154.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.018 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.93 97.33 2.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -150.52 -59.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 0.731 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.38 166.05 15.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -147.87 146.19 23.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -177.65 3.62 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 111.012 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.95 130.29 36.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.674 ' O ' HG11 ' A' ' 18' ' ' VAL . 55.8 p 52.97 100.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.968 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.483 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 2.3 p90 -148.85 130.33 14.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 179.02 -50.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -125.99 -100.64 1.21 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -129.35 119.53 24.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.674 HG11 ' O ' ' A' ' 13' ' ' SER . 10.1 m -103.81 171.55 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -166.58 164.68 16.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -81.12 63.5 5.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -162.68 -62.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.533 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 42.8 p90 -159.45 129.46 5.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.621 HG21 ' CB ' ' A' ' 13' ' ' SER . 2.2 p -86.49 157.96 19.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 110.433 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.526 ' CE2' HG12 ' A' ' 108' ' ' ILE . 8.0 p-90 -163.81 165.98 22.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 108.017 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.5 p -149.12 156.03 41.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.402 ' HB3' ' CH2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -108.27 127.47 53.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.265 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -114.86 170.18 8.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -38.16 -33.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 29' ' ' THR . 7.7 t -172.32 73.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.371 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 t70 170.86 154.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.444 HD23 ' CZ3' ' A' ' 24' ' ' TRP . 2.4 mp -129.14 114.68 16.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.11 107.57 18.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.137 . . . . 0.0 110.259 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.15 134.38 54.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -123.16 131.21 53.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.3 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.544 HG12 HD13 ' A' ' 69' ' ' LEU . 92.1 t -110.78 130.41 22.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 138.4 22.97 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.53 1.805 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.405 ' HB ' ' HD2' ' A' ' 38' ' ' PRO . 32.6 m -121.41 159.65 49.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.591 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.05 -178.86 4.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.73 10.27 21.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.591 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 3.6 p-80 -108.38 -5.57 16.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.575 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.541 HG23 ' CD2' ' A' ' 40' ' ' HIS . 10.0 t -101.08 99.71 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.548 HG12 ' CB ' ' A' ' 89' ' ' PRO . 27.5 m -142.94 16.63 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.85 -87.83 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 154.63 -33.77 0.69 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.7 pttt -76.65 -11.8 59.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 0.794 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 61' ' ' LEU . 22.6 mt-30 -76.4 -26.63 55.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -109.98 141.29 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -112.85 153.87 27.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.938 HG21 ' CD2' ' A' ' 85' ' ' TRP . 65.7 t -140.97 131.85 27.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.654 ' HB3' ' CB ' ' A' ' 57' ' ' ARG . . . -127.42 110.75 13.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.2 mt -114.45 123.17 48.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.733 ' O ' HG21 ' A' ' 80' ' ' THR . 7.5 m -119.04 -65.97 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.991 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 52' ' ' SER . 29.1 t 174.16 -55.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.0 p -114.94 26.31 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.027 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.2 t -155.11 175.06 14.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.811 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -164.75 155.68 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.811 ' N ' HD13 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -143.33 132.06 22.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.749 HG23 HD11 ' A' ' 56' ' ' ILE . 78.5 t -138.07 131.03 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 47' ' ' VAL . . . -151.1 164.01 37.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.541 ' HE1' ' CE1' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -147.37 139.16 24.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.991 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.484 ' O ' ' CE ' ' A' ' 60' ' ' MET . 12.8 mt -73.23 129.21 37.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -95.61 -67.85 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.01 -72.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.33 -8.69 57.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.91 -135.53 1.83 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.468 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -154.74 -173.21 4.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.291 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 6.3 ttt180 -152.91 139.62 18.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 58' ' ' VAL . 81.9 t -89.53 96.99 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.544 HD13 HG12 ' A' ' 35' ' ' VAL . 28.7 mt -59.35 -50.92 72.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' VAL . 25.8 ttt -139.62 143.76 37.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' A' ' 72' ' ' GLY . 0.0 OUTLIER -175.75 152.41 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.28 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.438 ' N ' ' OE1' ' A' ' 71' ' ' GLU . . . 140.11 157.53 7.27 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.563 1.164 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.74 138.98 55.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.793 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.531 HD23 HD23 ' A' ' 109' ' ' LEU . 14.7 mt -78.75 176.22 9.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.0 p -83.82 -33.05 25.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.393 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 103' ' ' TYR . 68.9 m-70 -137.59 -173.35 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.585 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 53' ' ' SER . 9.8 mttt -90.2 169.61 10.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.4 pp -148.9 159.83 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -86.42 83.65 7.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.733 HG21 ' O ' ' A' ' 52' ' ' SER . 16.9 p -51.2 -21.05 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -76.02 -41.22 51.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.324 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.64 -10.82 41.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 14.9 m -89.02 120.59 30.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.517 HD12 ' HB2' ' A' ' 96' ' ' ASN . 0.9 OUTLIER -114.86 179.47 3.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 1.003 ' HB2' HG22 ' A' ' 95' ' ' VAL . 1.6 p-90 -159.75 126.97 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 108.019 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.9 m -119.99 149.32 42.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.894 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER -106.03 141.95 36.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.894 ' H ' HD22 ' A' ' 87' ' ' LEU . 2.4 mt-10 -123.46 134.22 25.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.548 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.2 Cg_endo -74.98 120.23 5.99 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.6 47.21 78.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -144.21 -102.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.4 p -163.86 167.89 20.18 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.12 . . . . 0.0 108.301 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 35' ' ' VAL . 43.0 t -94.42 130.23 43.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.595 HD11 HD21 ' A' ' 96' ' ' ASN . 2.6 tm? -106.9 129.37 54.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 1.003 HG22 ' HB2' ' A' ' 85' ' ' TRP . 64.6 t -135.97 129.23 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.595 HD21 HD11 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -101.11 113.49 26.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.6 mt -101.65 115.13 29.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.3 146.34 27.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -83.19 134.33 34.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 100' ' ' VAL . 16.5 t -115.99 92.99 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.58 150.4 10.2 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.442 1.089 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.21 93.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.317 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.567 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 30.6 m-85 -129.3 156.03 44.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.502 ' O ' ' CD2' ' A' ' 76' ' ' HIS . 1.2 t-105 -88.84 116.36 27.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 108.027 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.452 ' O ' ' CB ' ' A' ' 106' ' ' ASN . 11.7 m95 -91.55 -75.26 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 108.009 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 105' ' ' TRP . 1.5 t-20 78.4 -52.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.349 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -128.93 161.29 30.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.526 HG12 ' CE2' ' A' ' 24' ' ' TRP . 10.1 mm -77.91 -58.83 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.531 HD23 HD23 ' A' ' 74' ' ' LEU . 64.6 mt -102.69 160.98 14.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.34 -17.81 57.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -71.07 -30.29 67.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -72.09 -163.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.352 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.96 157.89 51.58 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 109.88 3.01 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.448 ' CG1' ' OD1' ' A' ' 106' ' ' ASN . 43.8 pt -51.05 158.87 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.22 -52.51 2.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 3.0 mm -40.68 135.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 66.67 92.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.9 t -166.68 119.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -63.08 -162.38 0.34 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 58.03 4.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.83 125.32 37.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.45 158.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.487 1.117 . . . . 0.0 110.963 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.03 88.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 109.966 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.3 p -122.9 109.94 14.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.965 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.47 -84.35 0.56 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.2 m -96.66 149.82 21.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -68.19 100.49 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.59 -137.54 46.94 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -123.35 151.48 42.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 0.735 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.36 101.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 60.09 157.55 0.1 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -43.31 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.15 144.31 35.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.467 ' OG ' HG21 ' A' ' 18' ' ' VAL . 5.9 t 59.89 92.13 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.037 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -76.58 -50.53 13.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.957 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -168.84 144.18 3.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.68 -171.28 18.38 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.479 ' CB ' ' CE2' ' A' ' 24' ' ' TRP . . . -79.27 113.57 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.559 HG22 HG22 ' A' ' 23' ' ' THR . 97.4 t -129.99 145.17 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.425 ' O ' ' HB3' ' A' ' 20' ' ' GLU . 38.1 tpt85 -105.87 -77.59 0.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.425 ' HB3' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER 170.74 40.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 21' ' ' ASN . 2.1 p30 -175.78 -40.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.549 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 38.3 p90 -138.93 129.86 26.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.559 HG22 HG22 ' A' ' 18' ' ' VAL . 2.3 p -89.01 149.8 23.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.364 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.699 ' CE3' HD11 ' A' ' 108' ' ' ILE . 19.1 p-90 -154.8 163.77 39.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 107.992 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.4 p -153.97 160.19 41.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.972 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -108.27 125.59 51.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -105.36 -178.63 3.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -38.4 -58.1 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.1 t -151.59 70.49 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 165.54 150.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.13 155.33 18.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -142.51 107.54 4.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -121.35 120.11 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -108.45 123.25 48.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.506 HG21 HG11 ' A' ' 58' ' ' VAL . 48.0 t -101.38 129.52 26.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 136.71 20.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.475 1.776 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.4 m -121.46 158.97 52.21 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.535 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.4 Cg_endo -74.96 175.94 10.56 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.462 1.77 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -83.56 7.76 16.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.535 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 2.8 p-80 -106.39 -4.69 19.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.622 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.468 HG23 ' CD2' ' A' ' 40' ' ' HIS . 25.5 t -102.45 109.27 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.549 HG12 ' CB ' ' A' ' 89' ' ' PRO . 30.0 m -137.27 19.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -142.85 146.63 34.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.441 ' O ' HG23 ' A' ' 47' ' ' VAL . . . -70.47 -25.83 75.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.19 -14.73 61.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -81.74 5.01 19.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.234 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 44' ' ' GLY . 0.1 OUTLIER -139.93 169.11 16.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.437 ' OG ' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -129.13 126.25 38.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.994 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.841 HG21 ' CD2' ' A' ' 85' ' ' TRP . 54.1 t -126.13 131.6 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -129.13 110.91 12.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.9 mt -111.66 128.12 55.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.524 ' O ' HG21 ' A' ' 80' ' ' THR . 0.6 OUTLIER -132.92 -59.79 0.88 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 52' ' ' SER . 14.6 t 170.78 -45.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.39 38.46 3.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.996 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.94 153.08 32.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.659 HD11 HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -149.85 142.83 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -143.93 122.88 12.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.659 HG23 HD11 ' A' ' 56' ' ' ILE . 49.0 t -132.41 96.94 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.46 ' HB2' HG22 ' A' ' 68' ' ' VAL . . . -124.21 129.79 51.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.522 ' HG2' HD11 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -103.26 143.48 32.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.5 ' O ' ' CE ' ' A' ' 60' ' ' MET . 8.4 mt -71.68 139.54 49.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -105.64 -173.17 2.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -68.77 -38.24 79.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -134.63 54.68 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 142.12 -141.16 10.61 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.12 169.55 22.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 33.4 ttp180 -139.11 141.19 38.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.46 HG22 ' HB2' ' A' ' 59' ' ' ALA . 94.0 t -94.43 97.11 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.522 HD11 ' HG2' ' A' ' 60' ' ' MET . 22.8 mt -64.05 -50.71 67.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.674 ' HE3' HG21 ' A' ' 108' ' ' ILE . 27.7 ttt -141.33 145.58 35.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 11.6 tm-20 -177.55 151.32 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.484 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 147.63 148.96 4.86 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.76 115.18 7.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.454 HD23 HD23 ' A' ' 109' ' ' LEU . 47.4 mt -52.46 174.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.465 ' CG2' ' O ' ' A' ' 107' ' ' ALA . 44.4 p -93.05 -37.69 12.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.448 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.418 ' NE2' ' HB3' ' A' ' 104' ' ' TRP . 0.3 OUTLIER -119.63 174.42 6.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -91.84 159.15 15.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.497 ' CG2' ' CZ2' ' A' ' 105' ' ' TRP . 2.2 pp -139.77 157.2 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.416 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 3.4 t-20 -88.41 81.41 7.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.524 HG21 ' O ' ' A' ' 52' ' ' SER . 52.4 p -40.33 -39.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.399 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -51.91 -57.83 8.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.09 -29.91 68.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.048 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.5 m -66.67 162.46 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.511 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -151.67 178.65 9.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.841 ' CD2' HG21 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -164.97 125.54 1.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.412 ' O ' HG13 ' A' ' 93' ' ' VAL . 75.2 m -128.06 162.71 26.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.915 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.7 OUTLIER -119.35 144.94 46.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.915 ' H ' HD22 ' A' ' 87' ' ' LEU . 3.3 mm-40 -127.32 135.8 27.96 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.549 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.3 Cg_endo -75.0 118.72 5.37 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.766 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 56.2 51.66 54.49 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -150.12 -102.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.336 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.2 p -164.03 175.42 10.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 108.289 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 86' ' ' SER . 45.9 t -102.54 130.69 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.598 HD11 ' ND2' ' A' ' 96' ' ' ASN . 2.5 tm? -96.9 129.32 44.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.545 ' N ' HD13 ' A' ' 94' ' ' LEU . 86.8 t -137.9 136.54 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.598 ' ND2' HD11 ' A' ' 94' ' ' LEU . 3.6 m-80 -126.82 112.22 15.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.439 ' HB3' HG21 ' A' ' 78' ' ' ILE . 17.6 mt -92.51 118.32 30.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.416 ' CB ' ' HB3' ' A' ' 79' ' ' ASN . 24.7 t -70.5 138.85 51.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.603 ' HB3' ' CD1' ' A' ' 103' ' ' TYR . 2.0 mmtp -84.19 145.48 28.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.486 HG13 ' HA ' ' A' ' 78' ' ' ILE . 1.7 m -132.27 144.05 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.369 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.656 ' O ' ' CD1' ' A' ' 103' ' ' TYR . . . 36.81 -138.14 0.47 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.51 1.131 . . . . 0.0 111.031 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -68.66 102.38 1.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.656 ' CD1' ' O ' ' A' ' 101' ' ' GLY . 4.4 m-30 -67.0 93.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.418 ' HB3' ' NE2' ' A' ' 76' ' ' HIS . 9.7 t-105 -117.04 92.66 3.92 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.505 ' CD1' ' HE2' ' A' ' 99' ' ' LYS . 60.0 m95 -123.5 119.58 30.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.476 ' O ' ' HB2' ' A' ' 107' ' ' ALA . 12.3 m-20 -127.61 6.14 6.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 106' ' ' ASN . . . 176.67 106.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.699 HD11 ' CE3' ' A' ' 24' ' ' TRP . 5.5 mm -37.08 -50.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.484 HD13 ' HA3' ' A' ' 72' ' ' GLY . 41.6 mt -115.87 152.46 33.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -60.2 -15.24 22.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -104.4 50.41 0.86 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.415 ' HB3' ' HB1' ' A' ' 107' ' ' ALA . 25.9 tt0 -146.49 128.51 15.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.787 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -42.51 147.82 0.58 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 105.96 2.18 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.483 1.78 . . . . 0.0 111.04 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.423 ' CG1' ' HA ' ' A' ' 106' ' ' ASN . 19.7 pt -48.74 175.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -113.88 -48.03 2.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 7.1 mm -53.4 138.14 13.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.5 t0 58.31 89.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.6 122.88 5.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.03 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -84.06 165.7 41.82 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 72.55 4.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 30.8 t -174.58 152.51 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.74 -58.27 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.057 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -65.35 141.38 58.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 0.779 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.98 -58.35 8.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.009 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.39 76.24 0.97 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.554 1.159 . . . . 0.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 40.54 90.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.761 . . . . 0.0 109.973 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -156.95 123.37 4.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.28 167.7 1.35 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.55 1.156 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -130.41 -58.33 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 0.801 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -170.56 -61.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 109.302 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -140.76 131.08 13.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -47.55 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.541 1.811 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.4 p30 179.19 164.94 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 48.86 86.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.954 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -134.02 -45.24 0.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -175.8 153.9 1.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.04 -108.23 2.44 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.464 1.102 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.611 ' HB2' HG22 ' A' ' 115' ' ' ILE . . . -47.64 169.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.808 ' HB ' HG22 ' A' ' 23' ' ' THR . 16.8 m 36.89 -148.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.455 ' N ' HG23 ' A' ' 18' ' ' VAL . 0.2 OUTLIER 162.94 -71.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.69 -33.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -68.09 -56.89 7.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 41.4 p90 -147.4 126.11 12.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.808 HG22 ' HB ' ' A' ' 18' ' ' VAL . 2.1 p -94.76 157.01 16.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.438 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.796 ' CE3' HD11 ' A' ' 108' ' ' ILE . 11.3 p-90 -153.13 163.1 40.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.006 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.2 m -150.16 161.08 43.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.473 ' OE1' ' CD1' ' A' ' 115' ' ' ILE . 1.2 pt20 -113.34 130.8 56.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.4 178.33 4.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.246 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -38.21 -55.0 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.26 75.83 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.43 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 164.93 149.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.478 ' CD2' ' CE3' ' A' ' 105' ' ' TRP . 2.2 mp -112.11 134.92 53.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -122.98 104.55 9.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.68 122.83 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.13 131.91 56.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.453 HG21 HG11 ' A' ' 58' ' ' VAL . 21.6 t -110.97 134.68 20.94 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.1 Cg_endo -75.07 140.92 25.84 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.513 1.796 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.559 HG11 HG23 ' A' ' 93' ' ' VAL . 30.7 m -128.12 158.17 71.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.568 ' CG ' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.0 177.97 7.89 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -85.55 11.15 11.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.568 ' CE1' ' CG ' ' A' ' 38' ' ' PRO . 4.2 p-80 -111.05 -4.61 15.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.584 1.178 . . . . 0.0 109.62 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.425 HG23 ' HG2' ' A' ' 38' ' ' PRO . 15.6 t -100.08 108.74 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.526 HG12 ' CB ' ' A' ' 89' ' ' PRO . 16.2 m -130.2 -40.69 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -85.84 130.58 34.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.88 -17.03 53.89 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -74.34 -6.74 49.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -92.39 -15.49 27.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -118.36 135.49 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.9 m -96.32 140.09 31.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.025 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.997 HG21 ' CD2' ' A' ' 85' ' ' TRP . 44.8 t -139.79 127.06 24.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -127.34 111.89 14.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.9 mt -112.85 127.07 56.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.267 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.633 ' O ' HG21 ' A' ' 80' ' ' THR . 70.1 m -128.92 -63.01 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.978 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 52' ' ' SER . 68.9 p 175.27 -52.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 100.0 p -121.04 33.45 5.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.38 152.67 27.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.969 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.998 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -149.34 150.27 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.998 ' N ' HD13 ' A' ' 56' ' ' ILE . 15.4 ttt180 -138.99 130.68 27.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.6 HG23 ' CD1' ' A' ' 56' ' ' ILE . 6.8 t -139.93 97.27 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 67' ' ' ARG . . . -127.84 142.93 51.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.553 ' HG2' HD21 ' A' ' 69' ' ' LEU . 1.9 ptm -114.36 137.55 51.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 mt -67.31 140.1 57.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -104.81 -174.63 2.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 110.325 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -72.48 -21.71 61.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -147.6 51.19 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 142.37 -134.97 6.35 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.13 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -157.15 -179.21 7.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -155.52 147.67 23.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.7 t -92.75 113.19 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.553 HD21 ' HG2' ' A' ' 60' ' ' MET . 77.3 mt -73.37 -51.39 17.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.592 ' SD ' ' CD1' ' A' ' 22' ' ' TYR . 12.7 ttt -125.1 -93.24 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.468 ' N ' ' HG2' ' A' ' 70' ' ' MET . 3.6 tt0 59.58 146.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.859 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 150.11 149.08 4.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.577 1.173 . . . . 0.0 111.019 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -68.55 124.35 23.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 108' ' ' ILE . 16.7 mt -66.13 157.1 32.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.0 p -73.64 -38.66 64.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -126.51 -176.85 3.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.58 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -90.17 168.96 11.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.4 pp -147.96 164.13 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 80' ' ' THR . 5.1 t-20 -95.11 79.68 3.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.633 HG21 ' O ' ' A' ' 52' ' ' SER . 69.5 p -37.87 -49.9 1.24 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 110.384 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -47.28 -53.82 12.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.53 -31.64 67.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 14.5 m -76.46 157.56 32.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 1.4 pp -155.04 179.23 9.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.997 ' CD2' HG21 ' A' ' 49' ' ' VAL . 5.3 p-90 -151.02 121.87 7.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.01 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.9 m -117.89 126.53 52.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.949 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.83 HD22 ' H ' ' A' ' 88' ' ' GLU . 1.2 tm? -91.63 143.57 26.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.83 ' H ' HD22 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -124.67 135.37 26.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.526 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.94 123.06 7.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.551 1.816 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.58 59.78 9.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -161.01 -97.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -164.03 177.67 8.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 108.281 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.629 HG22 HD23 ' A' ' 87' ' ' LEU . 17.1 t -105.12 132.29 52.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.5 HD13 ' N ' ' A' ' 95' ' ' VAL . 2.6 tm? -101.35 134.74 43.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.532 HG22 ' HB2' ' A' ' 85' ' ' TRP . 63.4 t -139.95 108.18 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.485 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 15.1 m120 -95.3 107.53 19.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.9 mt -96.58 131.87 42.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.15 157.26 18.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.023 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -90.64 137.68 32.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 24.3 t -125.6 90.95 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.54 152.48 23.34 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.494 1.121 . . . . 0.0 111.041 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 94.06 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 0.797 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -128.94 155.93 44.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -98.38 103.8 15.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 107.959 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.478 ' CE3' ' CD2' ' A' ' 31' ' ' LEU . 20.3 m95 -80.28 94.14 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -83.26 -7.6 59.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.818 ' HB1' ' HB3' ' A' ' 112' ' ' GLU . . . -174.35 174.85 2.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.796 HD11 ' CE3' ' A' ' 24' ' ' TRP . 22.3 mm -87.25 -58.21 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.859 HD13 ' HA3' ' A' ' 72' ' ' GLY . 24.8 mt -100.09 164.16 12.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -72.92 -18.73 61.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -98.56 26.0 25.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.818 ' HB3' ' HB1' ' A' ' 107' ' ' ALA . 0.9 OUTLIER -113.21 140.12 48.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.77 . . . . 0.0 110.286 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.56 145.2 83.27 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 117.71 5.0 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.535 1.808 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.611 HG22 ' HB2' ' A' ' 17' ' ' ALA . 43.0 pt -48.73 158.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 117' ' ' ILE . 2.1 m-20 -91.61 76.05 5.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.744 HG22 ' H ' ' A' ' 118' ' ' ASP . 1.9 mm 45.33 -169.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.744 ' H ' HG22 ' A' ' 117' ' ' ILE . 0.1 OUTLIER 172.25 137.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -175.42 78.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.966 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 111.6 178.21 20.19 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.142 . . . . 0.0 110.965 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 168.93 23.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.6 t -47.06 -58.36 4.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.034 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.08 136.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.043 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 111.039 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.45 144.87 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 m -149.32 138.89 21.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.42 100.32 2.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.41 -58.68 2.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 0.796 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.8 158.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.81 -98.94 0.3 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.68 -60.29 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -63.91 116.66 6.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -46.48 145.95 2.63 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -43.4 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -47.83 162.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.9 t 60.99 112.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.18 -56.6 2.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -162.4 -55.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.368 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.518 ' O ' HG13 ' A' ' 18' ' ' VAL . . . -43.16 166.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.65 122.16 8.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 16' ' ' GLY . 22.2 m -111.58 168.85 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.2 tpt85 -155.4 149.17 25.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -62.08 -48.08 81.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.256 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -53.24 -58.82 5.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 43.7 p90 -152.05 129.11 11.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 p -86.57 150.57 24.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.535 ' CE3' HD11 ' A' ' 108' ' ' ILE . 7.9 p-90 -155.45 160.7 40.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.6 m -147.6 161.6 40.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -108.36 136.29 48.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -126.84 170.15 12.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -37.47 -56.55 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.636 ' O ' HG23 ' A' ' 29' ' ' THR . 10.0 t -150.63 74.4 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.413 ' CB ' ' O ' ' A' ' 29' ' ' THR . 0.3 OUTLIER 162.36 159.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.63 HD21 ' HB3' ' A' ' 105' ' ' TRP . 3.4 mp -125.45 141.4 52.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -125.03 105.93 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.251 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -116.23 127.26 73.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 16.4 mtp180 -117.24 131.13 56.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.425 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 17.8 t -111.35 130.39 23.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.02 140.88 25.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.8 m -126.7 158.26 68.54 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.535 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.1 Cg_endo -74.97 176.65 9.62 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.444 1.76 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.0 mmmt -85.72 11.75 10.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.535 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 3.5 p-80 -110.58 -5.55 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.644 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.49 HG23 ' HG2' ' A' ' 38' ' ' PRO . 42.1 t -102.59 115.16 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.582 HG12 ' CB ' ' A' ' 89' ' ' PRO . 17.9 m -135.71 -41.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -77.22 138.38 39.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.88 -14.05 57.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -83.11 -12.89 56.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 0.729 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -79.52 -6.43 56.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -135.43 151.17 29.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.6 m -114.44 147.79 38.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.981 HG21 ' CD2' ' A' ' 85' ' ' TRP . 44.1 t -140.13 109.35 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.667 ' HB3' ' HB3' ' A' ' 57' ' ' ARG . . . -106.93 108.3 19.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.9 mt -110.79 134.77 52.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.541 ' O ' HG21 ' A' ' 80' ' ' THR . 63.6 m -132.23 -66.3 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.99 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.46 ' HA ' HG13 ' A' ' 78' ' ' ILE . 78.5 p 177.04 -39.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.472 ' CB ' ' HD2' ' A' ' 77' ' ' LYS . 5.6 t -137.81 41.17 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.02 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.73 135.32 2.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.5 tt -124.78 152.97 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.667 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 10.2 ttt180 -143.99 110.32 5.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.8 t -120.83 105.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' A' ' 47' ' ' VAL . . . -126.52 144.81 50.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.589 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -121.37 137.02 54.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.47 ' O ' ' CE ' ' A' ' 60' ' ' MET . 9.2 mt -68.26 134.95 51.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.153 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -100.39 -173.67 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -69.65 -31.28 69.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -140.93 53.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 142.44 -138.28 8.35 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.03 169.79 22.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.787 . . . . 0.0 110.301 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.26 145.55 32.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.5 t -93.4 96.28 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.589 HD21 ' HG2' ' A' ' 60' ' ' MET . 45.3 mt -57.54 -58.54 7.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.476 ' SD ' ' CG ' ' A' ' 22' ' ' TYR . 25.6 ttt -135.06 136.41 42.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.456 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 11.8 tm-20 -169.61 141.62 2.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.336 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.574 ' HA3' HD13 ' A' ' 109' ' ' LEU . . . 157.2 154.48 7.08 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 123.56 18.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 54' ' ' SER . 18.8 mt -60.52 -171.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 108' ' ' ILE . 52.6 p -81.86 -35.57 29.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.484 ' CG ' ' O ' ' A' ' 75' ' ' THR . 34.1 m80 -163.36 -173.08 3.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.597 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.503 ' N ' ' HD3' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -69.44 165.28 21.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.555 ' HA ' HG13 ' A' ' 100' ' ' VAL . 2.1 pp -152.94 -172.75 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -107.11 84.93 2.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.541 HG21 ' O ' ' A' ' 52' ' ' SER . 2.6 p -49.92 -47.06 52.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.418 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -50.21 -55.19 16.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.268 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.47 ' HB3' ' CB ' ' A' ' 98' ' ' SER . 12.9 t -66.32 -33.94 76.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.949 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 96' ' ' ASN . 70.6 m -68.57 124.57 23.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.991 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.458 HD12 ' C ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -110.15 178.2 4.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.981 ' CD2' HG21 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -165.07 120.5 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 107.997 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.8 m -127.04 133.08 50.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.908 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -92.11 144.49 25.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.908 ' H ' HD22 ' A' ' 87' ' ' LEU . 1.8 mt-10 -122.82 134.87 25.25 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.582 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.5 Cg_endo -74.96 124.3 8.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.2 46.52 62.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.525 1.141 . . . . 0.0 111.049 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -145.61 -103.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -163.95 175.99 9.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 108.291 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.425 HG22 HD23 ' A' ' 87' ' ' LEU . 91.9 t -101.63 138.21 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.833 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.1 tm? -112.78 132.22 55.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.833 ' N ' HD13 ' A' ' 94' ' ' LEU . 54.4 t -138.88 143.35 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.441 ' HB2' ' CD1' ' A' ' 84' ' ' LEU . 2.6 m-80 -125.93 126.08 43.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.435 HD23 ' C ' ' A' ' 96' ' ' ASN . 7.8 mt -107.5 117.14 33.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 82' ' ' SER . 15.9 t -90.41 123.37 34.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.566 ' HD3' ' CD1' ' A' ' 105' ' ' TRP . 0.9 OUTLIER -72.42 129.93 39.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.555 HG13 ' HA ' ' A' ' 78' ' ' ILE . 16.8 m -87.57 47.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 144.79 -138.13 7.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.46 94.14 3.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.293 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -128.72 156.02 44.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 28.6 p90 -94.62 111.37 23.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 107.988 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.63 ' HB3' HD21 ' A' ' 31' ' ' LEU . 21.8 m95 -96.38 81.05 3.23 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -78.37 0.02 27.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.685 ' O ' HG21 ' A' ' 75' ' ' THR . . . -166.38 170.94 12.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.746 ' O ' HG23 ' A' ' 75' ' ' THR . 5.3 mm -98.08 -53.93 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.574 HD13 ' HA3' ' A' ' 72' ' ' GLY . 50.1 mt -103.77 156.29 17.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -68.21 -16.53 64.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -77.4 -33.33 44.14 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.11 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.31 111.11 12.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.756 . . . . 0.0 110.331 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -46.48 161.65 0.27 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.252 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 127.18 10.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.042 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.971 HD12 HD11 ' A' ' 117' ' ' ILE . 24.0 pt -66.53 160.54 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -151.29 54.66 0.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.971 HD11 HD12 ' A' ' 115' ' ' ILE . 0.6 OUTLIER -73.34 178.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.67 ' H ' HG22 ' A' ' 117' ' ' ILE . 1.0 OUTLIER -74.44 108.33 7.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 28.8 t -70.49 102.33 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.973 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -73.27 -161.86 6.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 75.81 3.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.788 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.44 164.94 30.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.54 136.51 53.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.964 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 53.55 101.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.747 . . . . 0.0 110.007 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -124.35 85.39 2.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.42 -102.22 2.89 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 t -78.36 110.95 13.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 p -101.32 160.8 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.73 111.27 0.2 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.47 156.38 30.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.5 mttp 61.89 150.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.489 ' C ' ' H ' ' A' ' 12' ' ' ASP . 33.9 m120 64.1 151.2 0.11 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 34.95 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 0.0 111.061 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.489 ' H ' ' C ' ' A' ' 10' ' ' ASN . 1.5 m-20 73.13 -60.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.456 ' HB2' HG21 ' A' ' 18' ' ' VAL . 71.1 p -64.1 87.31 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -68.07 152.0 46.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -69.06 121.45 16.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.528 ' O ' HG21 ' A' ' 115' ' ' ILE . . . 141.45 46.76 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.84 116.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.829 HG23 ' HD3' ' A' ' 19' ' ' ARG . 2.8 m -126.44 -172.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.829 ' HD3' HG23 ' A' ' 18' ' ' VAL . 0.0 OUTLIER 37.78 -137.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER 77.01 52.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.586 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 29.8 t30 87.05 -4.26 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.586 ' CD2' ' HB3' ' A' ' 21' ' ' ASN . 18.3 p90 173.66 131.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.527 HG23 ' H ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -86.09 142.28 28.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.48 ' CE3' HD11 ' A' ' 108' ' ' ILE . 14.4 p-90 -145.27 160.19 41.87 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 92.3 p -153.91 177.79 10.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.133 . . . . 0.0 109.993 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.7 116.95 6.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -132.82 132.39 42.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.441 ' O ' ' HB ' ' A' ' 29' ' ' THR . 0.2 OUTLIER 67.75 -66.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER 175.45 62.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 110.392 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -157.98 -179.24 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.56 HD22 ' CE3' ' A' ' 105' ' ' TRP . 1.1 mp -136.73 101.15 4.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.76 104.79 16.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -117.48 123.07 71.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 3.3 mtm180 -114.93 128.76 56.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.586 HG21 HG11 ' A' ' 58' ' ' VAL . 57.3 t -102.85 130.87 22.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 136.67 20.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.4 m -120.87 159.07 50.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.464 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 18.3 Cg_endo -75.0 177.3 8.78 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.798 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.41 11.59 10.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.464 ' CE1' ' HG2' ' A' ' 38' ' ' PRO . 3.2 p-80 -112.42 -3.59 14.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.55 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.438 HG23 ' HG2' ' A' ' 38' ' ' PRO . 15.6 t -101.93 108.96 24.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.595 HG12 ' CB ' ' A' ' 89' ' ' PRO . 15.4 m -132.45 -41.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.0 mmtt -76.39 143.11 40.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.34 2.56 61.63 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -94.31 -12.53 27.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -94.2 24.74 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.562 HG21 ' HG ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -151.07 138.96 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.64 131.15 56.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.758 HG21 ' CE3' ' A' ' 85' ' ' TRP . 45.8 t -126.3 138.02 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.403 ' HB3' ' CB ' ' A' ' 57' ' ' ARG . . . -128.14 114.89 17.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.3 mt -116.96 122.31 43.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.688 ' O ' HG21 ' A' ' 80' ' ' THR . 13.8 m -125.95 -63.0 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.971 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 52' ' ' SER . 19.4 t 172.69 -51.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 74' ' ' LEU . 0.1 OUTLIER -119.85 27.66 8.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 110.027 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.14 153.24 32.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.99 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 1.012 HD13 ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -148.14 151.8 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 1.012 ' N ' HD13 ' A' ' 56' ' ' ILE . 9.1 ttt180 -139.08 134.59 33.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.677 HG23 ' CD1' ' A' ' 56' ' ' ILE . 20.0 t -139.33 103.32 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -127.24 163.54 23.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.578 ' HG2' HD21 ' A' ' 69' ' ' LEU . 1.4 ptm -142.32 136.5 29.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.411 ' CD2' ' HB3' ' A' ' 66' ' ' GLU . 15.2 mt -72.61 130.28 40.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -95.33 -69.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -165.9 -66.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -89.11 -11.95 42.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.11 -133.96 1.59 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.06 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.411 ' HB3' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -157.77 178.51 10.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 110.31 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -142.62 141.11 31.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 91.0 t -91.43 99.39 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.578 HD21 ' HG2' ' A' ' 60' ' ' MET . 31.0 mt -61.88 -53.02 61.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 58' ' ' VAL . 19.2 ttt -141.8 140.96 33.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.451 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 14.5 tm-20 -170.68 150.16 3.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.518 ' C ' HD22 ' A' ' 109' ' ' LEU . . . 151.36 155.67 7.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -69.57 123.05 20.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 54' ' ' SER . 15.7 mt -61.35 166.94 3.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 108' ' ' ILE . 62.6 p -78.06 -42.37 32.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 105' ' ' TRP . 38.4 m80 -130.15 169.56 15.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.567 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -77.72 166.65 22.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.471 ' C ' HG13 ' A' ' 100' ' ' VAL . 1.9 pp -142.41 -175.69 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.62 ' CG ' HG12 ' A' ' 100' ' ' VAL . 22.1 m-20 -109.98 77.69 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.688 HG21 ' O ' ' A' ' 52' ' ' SER . 73.6 p -38.59 -39.09 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.354 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -57.72 -53.92 52.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 61.0 m -72.86 -19.48 61.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 110.038 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.6 m -83.81 139.74 32.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 96' ' ' ASN . 1.0 OUTLIER -127.38 179.33 5.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.329 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.758 ' CE3' HG21 ' A' ' 49' ' ' VAL . 0.7 OUTLIER -160.75 126.09 3.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 108.033 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.93 158.87 40.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.859 HD22 ' H ' ' A' ' 88' ' ' GLU . 0.9 OUTLIER -115.81 141.96 47.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.859 ' H ' HD22 ' A' ' 87' ' ' LEU . 1.8 mt-10 -123.18 134.78 25.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.595 ' CB ' HG12 ' A' ' 42' ' ' VAL . 18.4 Cg_endo -74.96 122.12 7.02 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.32 46.34 72.23 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.475 1.11 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.21 -103.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -163.61 174.75 11.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 108.276 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' VAL . 91.1 t -99.74 128.9 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.623 HD13 ' N ' ' A' ' 95' ' ' VAL . 1.9 tm? -97.62 138.43 35.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.623 ' N ' HD13 ' A' ' 94' ' ' LEU . 92.3 t -146.6 127.28 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.605 HD21 HD11 ' A' ' 94' ' ' LEU . 2.6 m-80 -111.04 125.05 53.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.417 HD22 HD13 ' A' ' 78' ' ' ILE . 25.3 mt -112.87 111.8 22.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.61 102.48 14.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -49.95 146.6 4.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.62 HG12 ' CG ' ' A' ' 79' ' ' ASN . 16.0 m -90.06 44.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.53 -137.83 7.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.22 94.49 4.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 0.737 . . . . 0.0 110.26 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -128.36 155.71 44.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 19.4 t-105 -98.42 104.06 16.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 108.021 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.56 ' CE3' HD22 ' A' ' 31' ' ' LEU . 8.8 m95 -82.28 98.4 8.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 108.017 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -69.9 -16.11 63.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -168.31 171.85 8.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.586 ' O ' HG23 ' A' ' 75' ' ' THR . 20.0 mm -85.33 -60.26 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.518 HD22 ' C ' ' A' ' 72' ' ' GLY . 49.3 mt -100.73 175.16 5.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -89.57 -12.15 40.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -74.88 -29.42 61.02 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -163.39 0.12 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 0.759 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -122.08 154.33 61.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 112.42 3.56 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.528 HG21 ' O ' ' A' ' 16' ' ' GLY . 20.4 pt -52.69 177.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 117' ' ' ILE . 10.4 m-20 -68.15 70.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 115' ' ' ILE . 7.8 mt -39.99 148.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -45.06 -57.46 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.02 85.59 2.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -174.89 -158.45 18.94 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.498 1.123 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.07 17.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 57.6 m -134.16 169.8 16.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.982 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.18 124.16 19.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.996 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.964 . . . . . . . . 0 0 . 1 stop_ save_